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Cyclohexanecarboxylic acid, 4-methyl-1-(1-methylethenyl)-, methyl ester

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

Cyclohexanecarboxylic acid, 4-methyl-1-(1-methylethenyl)-, methyl ester
SpectraBase Compound ID 3NDtZ3F1AdU
InChI InChI=1S/C12H20O2/c1-9(2)12(11(13)14-4)7-5-10(3)6-8-12/h10H,1,5-8H2,2-4H3
InChIKey IFBOOUUDNRCCNL-UHFFFAOYSA-N
Mol Weight 196.29 g/mol
Molecular Formula C12H20O2
Exact Mass 196.14633 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID HivyUl0ZakA
Name Cyclohexanecarboxylic acid, 4-methyl-1-(1-methylethenyl)-, methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 196.146329882 u
Formula C12H20O2
InChI InChI=1S/C12H20O2/c1-9(2)12(11(13)14-4)7-5-10(3)6-8-12/h10H,1,5-8H2,2-4H3
InChIKey IFBOOUUDNRCCNL-UHFFFAOYSA-N
Molecular Weight 196.290 g/mol
SMILES C1(C(=O)OC)(C(=C)C)CCC(CC1)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.803743