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Adipic acid, cyclopentylmethyl isohexyl ester

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

Adipic acid, cyclopentylmethyl isohexyl ester
SpectraBase Compound ID 3fbZrG56nSd
InChI InChI=1S/C18H32O4/c1-15(2)8-7-13-21-17(19)11-5-6-12-18(20)22-14-16-9-3-4-10-16/h15-16H,3-14H2,1-2H3
InChIKey NTGFHYCCMIHOTK-UHFFFAOYSA-N
Mol Weight 312.5 g/mol
Molecular Formula C18H32O4
Exact Mass 312.23006 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5ReRsixEGbl
Name Adipic acid, cyclopentylmethyl isohexyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 312.230059506 u
Formula C18H32O4
InChI InChI=1S/C18H32O4/c1-15(2)8-7-13-21-17(19)11-5-6-12-18(20)22-14-16-9-3-4-10-16/h15-16H,3-14H2,1-2H3
InChIKey NTGFHYCCMIHOTK-UHFFFAOYSA-N
Molecular Weight 312.450 g/mol
SMILES C1CC(COC(=O)CCCCC(OCCCC(C)C)=O)CC1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.923845