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3-Cyclopentylpropionic acid, 3-methylbutyl ester

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

3-Cyclopentylpropionic acid, 3-methylbutyl ester
SpectraBase Compound ID 7o2S7NQV7FK
InChI InChI=1S/C13H24O2/c1-11(2)9-10-15-13(14)8-7-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3
InChIKey VXUPUVJRNMABKJ-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 BynlM6isUGM
Name 3-Cyclopentylpropionic acid, 3-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/c1-11(2)9-10-15-13(14)8-7-12-5-3-4-6-12/h11-12H,3-10H2,1-2H3
InChIKey VXUPUVJRNMABKJ-UHFFFAOYSA-N
Molecular Weight 212.333 g/mol
SMILES C1(CCCC1)CCC(=O)OCCC(C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.972337