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Succinic acid, butyl 2-methoxy-4-chlorobenzyl ester

View entire compound with spectra: 1 FTIR

Succinic acid, butyl 2-methoxy-4-chlorobenzyl ester
SpectraBase Compound ID FEK8blvKHd6
InChI InChI=1S/C16H21ClO5/c1-3-4-9-21-15(18)7-8-16(19)22-11-12-5-6-13(17)10-14(12)20-2/h5-6,10H,3-4,7-9,11H2,1-2H3
InChIKey HBOJYWZUNIFTTN-UHFFFAOYSA-N
Mol Weight 328.79 g/mol
Molecular Formula C16H21ClO5
Exact Mass 328.107751 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6JeSLS3BBxu
Name Succinic acid, butyl 2-methoxy-4-chlorobenzyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 328.107751471 u
Formula C16H21ClO5
InChI InChI=1S/C16H21ClO5/c1-3-4-9-21-15(18)7-8-16(19)22-11-12-5-6-13(17)10-14(12)20-2/h5-6,10H,3-4,7-9,11H2,1-2H3
InChIKey HBOJYWZUNIFTTN-UHFFFAOYSA-N
Molecular Weight 328.792 g/mol
SMILES C1(=CC=C(C(=C1)OC)COC(=O)CCC(OCCCC)=O)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.826638