| SpectraBase Spectrum ID |
AyDEwPXmwez |
| Name |
Methyl 13-oxo-14,15,16-trinorlabda-8(17)-en-19-oate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
292.203844759 u |
| Formula |
C18H28O3 |
| InChI |
InChI=1S/C18H28O3/c1-13-8-9-15-17(2,14(13)7-5-12-19)10-6-11-18(15,3)16(20)21-4/h12,14-15H,1,5-11H2,2-4H3/t14-,15+,17+,18-/m0/s1 |
| InChIKey |
ZTPLIISGEBVOMH-IDCNUPLLSA-N |
| Molecular Weight |
292.419 g/mol |
| SMILES |
[C@@]12([C@]([C@](C(=O)OC)(C)CCC2)(CCC([C@@]1(CCC=O)[H])=C)[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.951804 |
