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3-Cyclopentylpropionic acid, 2-methylbutyl ester

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

3-Cyclopentylpropionic acid, 2-methylbutyl ester
SpectraBase Compound ID IGGf1N3TJWw
InChI InChI=1S/C13H24O2/c1-3-11(2)10-15-13(14)9-8-12-6-4-5-7-12/h11-12H,3-10H2,1-2H3
InChIKey YAWHJKWWVWEIPA-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 EQwC1vSmghR
Name 3-Cyclopentylpropionic acid, 2-methylbutyl 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/c1-3-11(2)10-15-13(14)9-8-12-6-4-5-7-12/h11-12H,3-10H2,1-2H3
InChIKey YAWHJKWWVWEIPA-UHFFFAOYSA-N
Molecular Weight 212.333 g/mol
SMILES C(CCC1CCCC1)(OCC(CC)C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.97505