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3-Cyclopentylpropionic acid, 3-methylbut-2-yl ester

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

3-Cyclopentylpropionic acid, 3-methylbut-2-yl ester
SpectraBase Compound ID IEISllSYaep
InChI InChI=1S/C13H24O2/c1-10(2)11(3)15-13(14)9-8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3
InChIKey ZRWUBMFLUXDWDE-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 U6pefO13KJ
Name 3-Cyclopentylpropionic acid, 3-methylbut-2-yl 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/c1-10(2)11(3)15-13(14)9-8-12-6-4-5-7-12/h10-12H,4-9H2,1-3H3
InChIKey ZRWUBMFLUXDWDE-UHFFFAOYSA-N
Molecular Weight 212.333 g/mol
SMILES C1(CCCC1)CCC(=O)OC(C(C)C)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86372