| SpectraBase Spectrum ID |
Ga3dLJmSRcr |
| Name |
(9S,9ar)-5,5,9-Trimethyl-2,6,7,8,9,9A-hexahydro-1H-benzocyclohepten-3-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/c1-10-5-4-8-14(2,3)13-9-11(15)6-7-12(10)13/h9-10,12H,4-8H2,1-3H3/t10-,12+/m0/s1 |
| InChIKey |
KQRZRDVTZGDBSF-CMPLNLGQSA-N |
| Molecular Weight |
206.329 g/mol |
| SMILES |
[C@@]12([C@](CCCC(C2=CC(CC1)=O)(C)C)(C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.898174 |
