| SpectraBase Spectrum ID |
9VfVzB3m2Li |
| Name |
1-Propanone, 1-phenyl-3-(2,6,6-trimethyl-1-cyclohexen-1-yl)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
256.182715392 u |
| Formula |
C18H24O |
| InChI |
InChI=1S/C18H24O/c1-14-8-7-13-18(2,3)16(14)11-12-17(19)15-9-5-4-6-10-15/h4-6,9-10H,7-8,11-13H2,1-3H3 |
| InChIKey |
VPRTUVNSJOCLGH-UHFFFAOYSA-N |
| Molecular Weight |
256.389 g/mol |
| SMILES |
C1(=C(CCCC1(C)C)C)CCC(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.831731 |
