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Glutaric acid, hex-2-en-1-yl 2-methylpent-3-yl ester

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

Glutaric acid, hex-2-en-1-yl 2-methylpent-3-yl ester
SpectraBase Compound ID GmKyNhSlVLx
InChI InChI=1S/C17H30O4/c1-5-7-8-9-13-20-16(18)11-10-12-17(19)21-15(6-2)14(3)4/h8-9,14-15H,5-7,10-13H2,1-4H3/b9-8+
InChIKey HJYGRPRTXYGCNJ-CMDGGOBGSA-N
Mol Weight 298.42 g/mol
Molecular Formula C17H30O4
Exact Mass 298.214409 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 3jcQcm2q2Ln
Name Glutaric acid, hex-2-en-1-yl 2-methylpent-3-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 298.214409442 u
Formula C17H30O4
InChI InChI=1S/C17H30O4/c1-5-7-8-9-13-20-16(18)11-10-12-17(19)21-15(6-2)14(3)4/h8-9,14-15H,5-7,10-13H2,1-4H3/b9-8+
InChIKey HJYGRPRTXYGCNJ-CMDGGOBGSA-N
SMILES C(CCC(OC(CC)C(C)C)=O)C(OC\C=C\CCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.87743