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Succinic acid, dec-4-enyl isobutyl ester

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Succinic acid, dec-4-enyl isobutyl ester
SpectraBase Compound ID LPATtGw8MXS
InChI InChI=1S/C18H32O4/c1-4-5-6-7-8-9-10-11-14-21-17(19)12-13-18(20)22-15-16(2)3/h8-9,16H,4-7,10-15H2,1-3H3/b9-8+
InChIKey NVFHLHBHABLBKQ-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 LVX1SdPdYdf
Name Succinic acid, dec-4-enyl isobutyl 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/c1-4-5-6-7-8-9-10-11-14-21-17(19)12-13-18(20)22-15-16(2)3/h8-9,16H,4-7,10-15H2,1-3H3/b9-8+
InChIKey NVFHLHBHABLBKQ-CMDGGOBGSA-N
Molecular Weight 312.450 g/mol
SMILES CCCCC\C=C\CCCOC(CCC(OCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.86051