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Succinic acid, non-4-enyl pentyl ester

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

Succinic acid, non-4-enyl pentyl ester
SpectraBase Compound ID hS8BJiDHv6
InChI InChI=1S/C18H32O4/c1-3-5-7-8-9-10-12-16-22-18(20)14-13-17(19)21-15-11-6-4-2/h8-9H,3-7,10-16H2,1-2H3/b9-8+
InChIKey XJXLEOVLOIDKEY-CMDGGOBGSA-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 42hSgHvvFLx
Name Succinic acid, non-4-enyl pentyl 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/c1-3-5-7-8-9-10-12-16-22-18(20)14-13-17(19)21-15-11-6-4-2/h8-9H,3-7,10-16H2,1-2H3/b9-8+
InChIKey XJXLEOVLOIDKEY-CMDGGOBGSA-N
Molecular Weight 312.450 g/mol
SMILES CCCC\C=C\CCCOC(CCC(OCCCCC)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.988448