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Sebacic acid, pent-4-en-2-yl propyl ester

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

Sebacic acid, pent-4-en-2-yl propyl ester
SpectraBase Compound ID DgSmhjY9c2y
InChI InChI=1S/C18H32O4/c1-4-12-16(3)22-18(20)14-11-9-7-6-8-10-13-17(19)21-15-5-2/h4,16H,1,5-15H2,2-3H3
InChIKey WXVKPWRLTMJSAN-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 Efag1Ac2kJ2
Name Sebacic acid, pent-4-en-2-yl propyl 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/c1-4-12-16(3)22-18(20)14-11-9-7-6-8-10-13-17(19)21-15-5-2/h4,16H,1,5-15H2,2-3H3
InChIKey WXVKPWRLTMJSAN-UHFFFAOYSA-N
Molecular Weight 312.450 g/mol
SMILES C(CCCCC(OC(C)CC=C)=O)CCCC(OCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.982148