SpectraBase Spectrum ID |
AO8U2WTJDVH |
Name |
1,2-Dimethyl-1-formyl-2-(2-methoxy-5-methylphenyl)cyclopentane |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
246.161979946 u |
Formula |
C16H22O2 |
InChI |
InChI=1S/C16H22O2/c1-12-6-7-14(18-4)13(10-12)16(3)9-5-8-15(16,2)11-17/h6-7,10-11H,5,8-9H2,1-4H3 |
InChIKey |
WPBSUXCNCNMFQX-UHFFFAOYSA-N |
Molecular Weight |
246.350 g/mol |
SMILES |
C1(C(CCC1)(C=1C(=CC=C(C1)C)OC)C)(C=O)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96119 |