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2-Methylvaleric acid, cyclohexylmethyl ester

View entire compound with spectra: 1 NMR, and 1 FTIR

2-Methylvaleric acid, cyclohexylmethyl ester
SpectraBase Compound ID 7PrAIUbJhtc
InChI InChI=1S/C13H24O2/c1-3-7-11(2)13(14)15-10-12-8-5-4-6-9-12/h11-12H,3-10H2,1-2H3
InChIKey PGJSABZOWJTODI-UHFFFAOYSA-N
Mol Weight 212.33 g/mol
Molecular Formula C13H24O2
Exact Mass 212.17763 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 35Rd0Hs3Pr0
Name 2-Methylvaleric acid, cyclohexylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 212.177630011 u
Formula C13H24O2
InChI InChI=1S/C13H24O2/c1-3-7-11(2)13(14)15-10-12-8-5-4-6-9-12/h11-12H,3-10H2,1-2H3
InChIKey PGJSABZOWJTODI-UHFFFAOYSA-N
Molecular Weight 212.333 g/mol
SMILES C(C(C(=O)OCC1CCCCC1)C)CC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.959168