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Adipic acid, cyclopentylmethyl ethyl ester

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

Adipic acid, cyclopentylmethyl ethyl ester
SpectraBase Compound ID FWBURdMQlrM
InChI InChI=1S/C14H24O4/c1-2-17-13(15)9-5-6-10-14(16)18-11-12-7-3-4-8-12/h12H,2-11H2,1H3
InChIKey IVWMWVNNCNZZNZ-UHFFFAOYSA-N
Mol Weight 256.34 g/mol
Molecular Formula C14H24O4
Exact Mass 256.167459 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 9BkZTZQesW0
Name Adipic acid, cyclopentylmethyl ethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 256.167459249 u
Formula C14H24O4
InChI InChI=1S/C14H24O4/c1-2-17-13(15)9-5-6-10-14(16)18-11-12-7-3-4-8-12/h12H,2-11H2,1H3
InChIKey IVWMWVNNCNZZNZ-UHFFFAOYSA-N
Molecular Weight 256.342 g/mol
SMILES C1CC(CC1)COC(=O)CCCCC(OCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.973015