| SpectraBase Spectrum ID |
4ly31OQADWC |
| Name |
2,4,4-Trimethyl-1-phenyl-7-octen-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
244.182715392 u |
| Formula |
C17H24O |
| InChI |
InChI=1S/C17H24O/c1-5-6-12-17(3,4)13-14(2)16(18)15-10-8-7-9-11-15/h5,7-11,14H,1,6,12-13H2,2-4H3 |
| InChIKey |
CPWYYMGMUGBTGP-UHFFFAOYSA-N |
| Molecular Weight |
244.378 g/mol |
| SMILES |
C(C(CC(CCC=C)(C)C)C)(=O)C=1C=CC=CC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.974029 |
