| SpectraBase Spectrum ID |
29qAJq97JDn |
| Name |
6(1H)-Azulenone, 1-(acetyloxy)-2,3,5,7,8,8A-hexahydro-1,4-dimethyl-7-(1-methylethylidene)-, cis-(.+-.)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
276.172544630 u |
| Formula |
C17H24O3 |
| InChI |
InChI=1S/C17H24O3/c1-10(2)14-9-15-13(11(3)8-16(14)19)6-7-17(15,5)20-12(4)18/h15H,6-9H2,1-5H3/t15-,17+/m0/s1 |
| InChIKey |
LCARQDVVQOJBOM-DOTOQJQBSA-N |
| SMILES |
C=12[C@@]([C@@](OC(=O)C)(C)CC2)(CC(=C(C)C)C(CC1C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898874 |
