| SpectraBase Spectrum ID |
Dz49B28MaTZ |
| Name |
Methyl-labda-8(17),13Z-dien-19-oate |
| 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/c1-7-15(2)9-11-17-16(3)10-12-18-20(17,4)13-8-14-21(18,5)19(22)23-6/h7,17-18H,3,8-14H2,1-2,4-6H3/b15-7-/t17-,18?,20+,21-/m0/s1 |
| InChIKey |
WVIVRWKRTVVQTG-HBVKIBMRSA-N |
| Molecular Weight |
318.501 g/mol |
| SMILES |
C(=O)([C@@]1(C2[C@@]([C@](C(CC2)=C)(CC\C(=C/C)C)[H])(CCC1)C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.953601 |
