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

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Glutaric acid, pent-2-en-1-yl cyclohexylmethyl ester
SpectraBase Compound ID ozCQA03N3p
InChI InChI=1S/C17H28O4/c1-2-3-7-13-20-16(18)11-8-12-17(19)21-14-15-9-5-4-6-10-15/h3,7,15H,2,4-6,8-14H2,1H3/b7-3+
InChIKey GPABDNZRDCKSTQ-XVNBXDOJSA-N
Mol Weight 296.41 g/mol
Molecular Formula C17H28O4
Exact Mass 296.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID GVncZxsKzEs
Name Glutaric acid, pent-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 296.198759378 u
Formula C17H28O4
InChI InChI=1S/C17H28O4/c1-2-3-7-13-20-16(18)11-8-12-17(19)21-14-15-9-5-4-6-10-15/h3,7,15H,2,4-6,8-14H2,1H3/b7-3+
InChIKey GPABDNZRDCKSTQ-XVNBXDOJSA-N
Molecular Weight 296.407 g/mol
SMILES C(CCC(OCC1CCCCC1)=O)C(OC\C=C\CC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.869326