| SpectraBase Spectrum ID |
w6i6Y1fQPG |
| Name |
2-(4'-Methoxybenzyl-6-methylcyclohexan-1-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
232.146329882 u |
| Formula |
C15H20O2 |
| InChI |
InChI=1S/C15H20O2/c1-11-4-3-5-13(15(11)16)10-12-6-8-14(17-2)9-7-12/h6-9,11,13H,3-5,10H2,1-2H3 |
| InChIKey |
STLKRHASMDDVLC-UHFFFAOYSA-N |
| Molecular Weight |
232.323 g/mol |
| SMILES |
C1(C(CC2=CC=C(C=C2)OC)CCCC1C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.948487 |
