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Succinic acid, 4-chloro-3-methylphenyl pent-4-en-1-yl ester

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

Succinic acid, 4-chloro-3-methylphenyl pent-4-en-1-yl ester
SpectraBase Compound ID 3rnViwFiLoB
InChI InChI=1S/C16H19ClO4/c1-3-4-5-10-20-15(18)8-9-16(19)21-13-6-7-14(17)12(2)11-13/h3,6-7,11H,1,4-5,8-10H2,2H3
InChIKey DOOVWLPCEAOMLM-UHFFFAOYSA-N
Mol Weight 310.78 g/mol
Molecular Formula C16H19ClO4
Exact Mass 310.097187 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Esp7Y397DaG
Name Succinic acid, 4-chloro-3-methylphenyl pent-4-en-1-yl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.097186788 u
Formula C16H19ClO4
InChI InChI=1S/C16H19ClO4/c1-3-4-5-10-20-15(18)8-9-16(19)21-13-6-7-14(17)12(2)11-13/h3,6-7,11H,1,4-5,8-10H2,2H3
InChIKey DOOVWLPCEAOMLM-UHFFFAOYSA-N
Molecular Weight 310.777 g/mol
SMILES C(CC(OC1=CC(C)=C(C=C1)Cl)=O)C(OCCCC=C)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.879869