| SpectraBase Spectrum ID |
KicZ1BBa71V |
| Name |
(3S,3ar,8as)-3-Methyl-octahydroazulen-5(1H)-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
166.135765199 u |
| Formula |
C11H18O |
| InChI |
InChI=1S/C11H18O/c1-8-5-6-9-3-2-4-10(12)7-11(8)9/h8-9,11H,2-7H2,1H3/t8-,9-,11+/m0/s1 |
| InChIKey |
ZXEGJUDLZPBLMK-ATZCPNFKSA-N |
| Molecular Weight |
166.264 g/mol |
| SMILES |
C1C[C@@]([C@]2(CC(CCC[C@@]12[H])=O)[H])(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922793 |
