| SpectraBase Compound ID | F6Lhu2jKIfr |
|---|---|
| InChI | InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h6,8,12-14,17-18H,7,9-11H2,1-5H3 |
| InChIKey | KSXBJAUOBWTLPF-UHFFFAOYSA-N |
| Mol Weight | 314.47 g/mol |
| Molecular Formula | C21H30O2 |
| Exact Mass | 314.22458 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 6Etb9hDbNR4 |
|---|---|
| Name | Methyl 2,7,13 - abietatrienoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 314.224580204 u |
| Formula | C21H30O2 |
| InChI | InChI=1S/C21H30O2/c1-14(2)15-7-9-17-16(13-15)8-10-18-20(17,3)11-6-12-21(18,4)19(22)23-5/h6,8,12-14,17-18H,7,9-11H2,1-5H3 |
| InChIKey | KSXBJAUOBWTLPF-UHFFFAOYSA-N |
| Molecular Weight | 314.469 g/mol |
| SMILES | C12(C(C(C(=O)OC)(C=CC2)C)CC=C2C1CCC(C(C)C)=C2)C |