| SpectraBase Spectrum ID |
EfcFig8CbGC |
| Name |
3-Methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-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/c1-10-7-6-8-14(4,5)13(10)9-11(2)12(3)15/h9H,6-8H2,1-5H3/b11-9+ |
| InChIKey |
NSSHGPBKKVJJMM-PKNBQFBNSA-N |
| Molecular Weight |
206.329 g/mol |
| SMILES |
CC(\C(=C\C1=C(CCCC1(C)C)C)C)=O |
| Spectrum/Structure Validation Score (Raman) |
0.885313 |
