| SpectraBase Spectrum ID |
Di9Iz1gbpG6 |
| Name |
8,13-Epoxylabd-14-en-12-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
304.240230268 u |
| Formula |
C20H32O2 |
| InChI |
InChI=1S/C20H32O2/c1-7-19(5)16(21)13-15-18(4)11-8-10-17(2,3)14(18)9-12-20(15,6)22-19/h7,14-15H,1,8-13H2,2-6H3/t14-,15+,18-,19-,20+/m0/s1 |
| InChIKey |
YCXYYSOMBUICDN-SBCNTATESA-N |
| Molecular Weight |
304.474 g/mol |
| SMILES |
[C@]12([C@@]3([C@@](O[C@](C(C3)=O)(C=C)C)(C)CC[C@]1(C(C)(C)CCC2)[H])[H])C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.976425 |
