SpectraBase Spectrum ID |
14tRcHFQ2ms |
Name |
Methyl 5-methyl-2-ethenyl-cyclohexane-1-carboxylate |
Comments |
Computed using SmartSpectra Model v1.42 |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
182.130679818 u |
Formula |
C11H18O2 |
InChI |
InChI=1S/C11H18O2/c1-4-9-6-5-8(2)7-10(9)11(12)13-3/h4,8-10H,1,5-7H2,2-3H3 |
InChIKey |
CWWRIIQVFDHNKM-UHFFFAOYSA-N |
Molecular Weight |
182.263 g/mol |
SMILES |
C1(CC(C(CC1)C=C)C(=O)OC)C |
Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971564 |