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Glutaric acid, hex-2-en-1-yl cyclohexylmethyl ester

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

Glutaric acid, hex-2-en-1-yl cyclohexylmethyl ester
SpectraBase Compound ID 6v16VSDOYU7
InChI InChI=1S/C18H30O4/c1-2-3-4-8-14-21-17(19)12-9-13-18(20)22-15-16-10-6-5-7-11-16/h4,8,16H,2-3,5-7,9-15H2,1H3/b8-4+
InChIKey LSWKGOZQZVJYSH-XBXARRHUSA-N
Mol Weight 310.43 g/mol
Molecular Formula C18H30O4
Exact Mass 310.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DAdJyFwBpcl
Name Glutaric acid, hex-2-en-1-yl cyclohexylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.214409442 u
Formula C18H30O4
InChI InChI=1S/C18H30O4/c1-2-3-4-8-14-21-17(19)12-9-13-18(20)22-15-16-10-6-5-7-11-16/h4,8,16H,2-3,5-7,9-15H2,1H3/b8-4+
InChIKey LSWKGOZQZVJYSH-XBXARRHUSA-N
SMILES C(CCC(OCC1CCCCC1)=O)C(OC\C=C\CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.867791