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3-Cyclohexyl-2-(cyclohexylmethyl)propionic acid methyl ester

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

3-Cyclohexyl-2-(cyclohexylmethyl)propionic acid methyl ester
SpectraBase Compound ID HQuMycaUCWA
InChI InChI=1S/C17H30O2/c1-19-17(18)16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h14-16H,2-13H2,1H3
InChIKey SCIMOTYNHBQLCC-UHFFFAOYSA-N
Mol Weight 266.42 g/mol
Molecular Formula C17H30O2
Exact Mass 266.22458 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9soD0ZinmIs
Name 3-Cyclohexyl-2-(cyclohexylmethyl)propionic acid methyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 266.224580204 u
Formula C17H30O2
InChI InChI=1S/C17H30O2/c1-19-17(18)16(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h14-16H,2-13H2,1H3
InChIKey SCIMOTYNHBQLCC-UHFFFAOYSA-N
Molecular Weight 266.425 g/mol
SMILES C(C(CC1CCCCC1)CC1CCCCC1)(=O)OC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.83028