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Succinic acid, 3-methylbut-2-en-1-yl 4-chloro-2-methoxyphenyl ester

View entire compound with spectra: 1 FTIR

Succinic acid, 3-methylbut-2-en-1-yl 4-chloro-2-methoxyphenyl ester
SpectraBase Compound ID DJab8MXGHtf
InChI InChI=1S/C16H19ClO5/c1-11(2)8-9-21-15(18)6-7-16(19)22-13-5-4-12(17)10-14(13)20-3/h4-5,8,10H,6-7,9H2,1-3H3
InChIKey ICEXRWOTHWBXRQ-UHFFFAOYSA-N
Mol Weight 326.78 g/mol
Molecular Formula C16H19ClO5
Exact Mass 326.092101 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID lf6HSuyEJ7
Name Succinic acid, 3-methylbut-2-en-1-yl 4-chloro-2-methoxyphenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 326.092101407 u
Formula C16H19ClO5
InChI InChI=1S/C16H19ClO5/c1-11(2)8-9-21-15(18)6-7-16(19)22-13-5-4-12(17)10-14(13)20-3/h4-5,8,10H,6-7,9H2,1-3H3
InChIKey ICEXRWOTHWBXRQ-UHFFFAOYSA-N
Molecular Weight 326.776 g/mol
SMILES C(CC(OCC=C(C)C)=O)C(OC1=C(C=C(C=C1)Cl)OC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.900151