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Glutaric acid, hepta-1,6-dien-4-yl cyclohexylmethyl ester

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Glutaric acid, hepta-1,6-dien-4-yl cyclohexylmethyl ester
SpectraBase Compound ID 8YuleNNIXlh
InChI InChI=1S/C19H30O4/c1-3-9-17(10-4-2)23-19(21)14-8-13-18(20)22-15-16-11-6-5-7-12-16/h3-4,16-17H,1-2,5-15H2
InChIKey WTAZBHWYDHLABU-UHFFFAOYSA-N
Mol Weight 322.45 g/mol
Molecular Formula C19H30O4
Exact Mass 322.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 5tdC9ccIHeO
Name Glutaric acid, hepta-1,6-dien-4-yl cyclohexylmethyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 322.214409442 u
Formula C19H30O4
InChI InChI=1S/C19H30O4/c1-3-9-17(10-4-2)23-19(21)14-8-13-18(20)22-15-16-11-6-5-7-12-16/h3-4,16-17H,1-2,5-15H2
InChIKey WTAZBHWYDHLABU-UHFFFAOYSA-N
Molecular Weight 322.445 g/mol
SMILES C(CCC(OCC1CCCCC1)=O)C(OC(CC=C)CC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.857403