SpectraBase Spectrum ID |
LKPjdsyfsVb |
Name |
2-Benzyl-5,5-dimethyl-2-cyclohexenone |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
214.135765199 u |
Formula |
C15H18O |
InChI |
InChI=1S/C15H18O/c1-15(2)9-8-13(14(16)11-15)10-12-6-4-3-5-7-12/h3-8H,9-11H2,1-2H3 |
InChIKey |
NNFJQWXYGKKQNJ-UHFFFAOYSA-N |
Molecular Weight |
214.308 g/mol |
SMILES |
C1(C(=CCC(C1)(C)C)CC=1C=CC=CC1)=O |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.848566 |