| SpectraBase Spectrum ID |
8MMvOJGOrIa |
| Name |
nor-Labdane_Metabolite;14,15-dinorlabd-8-(17)-en-13-on-19-oic_acid |
| 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/c1-12-6-9-15-17(3,14(12)8-7-13(2)19)10-5-11-18(15,4)16(20)21/h14-15H,1,5-11H2,2-4H3,(H,20,21)/t14-,15?,17+,18-/m0/s1 |
| InChIKey |
WJXLWXJYJCBHME-NDNZDJEJSA-N |
| Molecular Weight |
292.419 g/mol |
| SMILES |
C(=O)([C@]1(CCC[C@]2(C1CCC(=C)[C@@]2(CCC(=O)C)[H])C)C)O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978893 |
