| SpectraBase Spectrum ID |
Cf3uvy5Ogza |
| Name |
Labd-7-en-15-oic acid, 6-oxo-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
348.266445016 u |
| Formula |
C22H36O3 |
| InChI |
InChI=1S/C22H36O3/c1-7-25-19(24)13-15(2)9-10-17-16(3)14-18(23)20-21(4,5)11-8-12-22(17,20)6/h14-15,17,20H,7-13H2,1-6H3 |
| InChIKey |
FNJBMLBNXGDBSY-UHFFFAOYSA-N |
| Molecular Weight |
348.527 g/mol |
| SMILES |
C(C)OC(CC(CCC1C(=CC(C2C1(CCCC2(C)C)C)=O)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974717 |
