| Compound |
13C atom |
Chem. Shift δ (ppm) |
1H atom |
Chem. Shift δ (ppm) |
Coupling constant (Hz) |
COSY |
NOESYa |
HMBCa |
| Thymol |
C-8/9 |
22.7 |
A |
1.28 |
(6 H, d) |
6.9 |
|
C |
B, C, G, D(w) |
|
| |
C-10 |
20.9 |
B |
2.31 |
(3 H, s) |
|
|
- |
A, D, E, F |
G(w), C, B(w), A |
| |
C-7 |
26.7 |
C |
3.20 |
(1 H, m) |
6.9 |
|
A |
A, D, G |
G(w), F, E |
| |
-OH |
- |
D |
4.65 |
(1 H, s) |
|
|
- |
E, C, B, A(w) |
G, E(w), A |
| |
C-6 |
116.0 |
E |
6.61 |
(1 H, s) |
|
|
- |
B, D, F, G |
- |
| |
C-4 |
121.7 |
F |
6.77 |
(1 H, d) |
7.9 |
|
G |
B, E, G |
G(w), F, D, B |
| |
C-3 |
126.2 |
G |
7.12 |
(1 H, d) |
7.7 |
|
F |
A, C, E, F |
G(w), E, B |
| |
C-1 |
152.5 |
|
|
|
|
|
|
|
F(w), D(w), C, B(w) |
| |
C-5 |
136.7 |
|
|
|
|
|
|
|
G, F(w), E(w), D, C, B(w) |
| |
C-2 |
131.3 |
|
|
|
|
|
|
|
G, F(w), E(w), B |
| |
|
|
|
|
|
|
|
|
|
G(w), F, E, D, C, B, A |
| (+)-α-Pinene |
C-9 |
20.8 |
|
|
|
|
|
|
|
|
| |
C-7 |
31.5 |
A |
0.86 |
(3 H, s) |
|
|
- |
C, D, E(w), G/H, I, J |
|
| |
C-8 |
26.4 |
B |
1.18 |
(1 H, d) |
8.5 |
|
I |
C, E(w), F(w), G/H, I, J(w) |
B, C |
| |
C-10 |
23.0 |
C |
1.29 |
(3 H, s) |
|
|
- |
A, B, D, E, F, G, H, I, J |
due to [28] |
| |
C-1 |
47.0 |
D |
1.68 |
(3 H, dd) |
2.1 |
|
- |
A, C, E, F, G, H, I, J |
A, B, E |
| |
C-5 |
40.7 |
E |
1.96 |
(1 H, t) |
11.2 1.5 |
|
F, I |
A(w), B(w), C, D, F(w) |
E |
| |
C-4 |
31.3 |
F |
2.10 |
(1 H, m) |
|
|
E, I |
B(w), C, D, E(w), G, I(w), J(w) |
A, B, C, D, F, I, H(w) |
| |
C-4 |
31.3 |
G |
2.18 |
(1 H, m) |
17.3 |
(dd) |
H |
A, B, C, D, F, H, I, J |
A, B, C, E, I, H(w) |
| |
C-7 |
31.5 |
H |
2.26 |
(1 H, m) |
17.3 |
(dd) |
G |
A, B, C, D, G, I, J |
due to [28] |
| |
C-3 |
116.0 |
I |
2.36 |
(1 H, m) |
8.5 11.2 |
|
B, E, F |
A, B, C, D, F, G, H, J |
due to [28] |
| |
C-6 |
38.0 |
J |
5.21 |
(1 H, m) |
|
|
- |
A, B, C, D, E, F, G, H, I |
due to [28] |
| |
C-2 |
144.5 |
|
|
|
|
|
|
|
- |
| |
|
|
|
|
|
|
|
|
|
A, B, C, E, I, F(w), G(w) |
| |
|
|
|
|
|
|
|
|
|
B, D, E, I, C(w), G(w), H(w) |
| 1,8-Cineole |
C-7 |
27.6 |
|
|
|
|
|
|
|
|
| |
C-9/10 |
28.9 |
A |
1.07 |
(3 H, s) |
|
|
- |
B, E(w) |
|
| |
C-4 |
32.9 |
B |
1.26 |
(6 H, s) |
|
|
- |
A, C(w), D(w), F |
D(w), E |
| |
C-2/3/5/6 |
22.8 / 31.5 |
C |
1.42 |
(1 H, s) |
|
|
- |
B(w), D, E(w), F |
B, D(w) |
| |
C-2/6 |
31.5 |
D (endo)b |
1.51 |
(4 H, m) |
|
|
E, F |
B(w), C, E, F |
B, D, E(w), F |
| |
C-3/5 |
22.8 |
E (exo)b |
1.68 |
(2 H, m) |
|
|
D, F |
D, C(w), F(w) |
|
| |
C-1 |
69.8 |
F (exo)b |
2.03 |
(2 H, m) |
|
|
D, E |
B, C, D, E(w) |
A, C, D, E, F |
| |
C-8 |
73.7 |
|
|
|
|
|
|
|
A(w), C(w), D, E, F |
| |
|
|
|
|
|
|
|
|
|
A, D(w), E, F |
| |
|
|
|
|
|
|
|
|
|
B, D, E(w), F(w) |
| γ-Terpinenec |
C-8/9 |
1.0 |
|
|
|
|
|
|
|
|
| |
C-10 |
23.0 |
A |
1.01 |
|
|
|
|
|
|
| |
C-7 |
34.6 |
B |
1.66 |
|
|
|
|
|
|
| |
C-1/4 |
31.7 |
C |
2.20 |
|
|
|
|
|
|
| |
C-3/6 |
118.9 |
D |
2.60 |
|
|
|
|
|
|
| |
C-2 |
140.6 |
E |
5.43 |
|
|
|
|
|
|
| |
C-5 |
131.3 |
|
|
|
|
|
|
|
|
a’(w)’ indicates a weak correlation signal
bdue to [29]
call data due to Spectral Database for Organic Compounds SDBS (SDBS No. 23242HSP-06-383) |
