| SpectraBase Spectrum ID |
ITkLdtTgMv6 |
| Name |
2,11(18)-Obtusadien-7-ol - formiate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
318.255880333 u |
| Formula |
C21H34O2 |
| InChI |
InChI=1S/C21H34O2/c1-16-8-10-18(11-9-16)21(5,23-15-22)14-12-19-17(2)7-6-13-20(19,3)4/h8,15,18-19H,2,6-7,9-14H2,1,3-5H3 |
| InChIKey |
CNYCQWLLNYSCOQ-UHFFFAOYSA-N |
| Molecular Weight |
318.501 g/mol |
| SMILES |
C1(C(=C)CCCC1(C)C)CCC(C1CC=C(CC1)C)(OC=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.960666 |
