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Succinic acid, isohexyl trans-hex-3-enyl ester

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

Succinic acid, isohexyl trans-hex-3-enyl ester
SpectraBase Compound ID 5BECkESccM5
InChI InChI=1S/C16H28O4/c1-4-5-6-7-12-19-15(17)10-11-16(18)20-13-8-9-14(2)3/h5-6,14H,4,7-13H2,1-3H3/b6-5+
InChIKey JPSMSFPZQBRHIJ-AATRIKPKSA-N
Mol Weight 284.4 g/mol
Molecular Formula C16H28O4
Exact Mass 284.198759 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID DjTsf36ggNF
Name Succinic acid, isohexyl trans-hex-3-enyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 284.198759378 u
Formula C16H28O4
InChI InChI=1S/C16H28O4/c1-4-5-6-7-12-19-15(17)10-11-16(18)20-13-8-9-14(2)3/h5-6,14H,4,7-13H2,1-3H3/b6-5+
InChIKey JPSMSFPZQBRHIJ-AATRIKPKSA-N
SMILES C(OCC\C=C\CC)(CCC(OCCCC(C)C)=O)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.906343