| SpectraBase Spectrum ID |
GdrGxS1qtpT |
| Name |
(1R,3ar,8R,8as)-1-Methyl-8-(1-methylethenyl)-2,3,3A,5,6,7,8,8A-octahydro-1H-azulen-4-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
206.167065327 u |
| Formula |
C14H22O |
| InChI |
InChI=1S/C14H22O/c1-9(2)11-5-4-6-13(15)12-8-7-10(3)14(11)12/h10-12,14H,1,4-8H2,2-3H3/t10-,11+,12+,14+/m1/s1 |
| InChIKey |
QDGCJDQYADMNSR-UHXUPSOCSA-N |
| Molecular Weight |
206.329 g/mol |
| SMILES |
[C@@]12([C@](C(=O)CCC[C@]2(C(=C)C)[H])(CC[C@]1(C)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85628 |
