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

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

Succinic acid, 3-methylbut-2-en-1-yl 2-chloro-4-methylphenyl ester
SpectraBase Compound ID 2eglFlAPnyY
InChI InChI=1S/C16H19ClO4/c1-11(2)8-9-20-15(18)6-7-16(19)21-14-5-4-12(3)10-13(14)17/h4-5,8,10H,6-7,9H2,1-3H3
InChIKey RSYRNPMUKHQPBL-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 8hZU6nGkxQE
Name Succinic acid, 3-methylbut-2-en-1-yl 2-chloro-4-methylphenyl 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/c1-11(2)8-9-20-15(18)6-7-16(19)21-14-5-4-12(3)10-13(14)17/h4-5,8,10H,6-7,9H2,1-3H3
InChIKey RSYRNPMUKHQPBL-UHFFFAOYSA-N
Molecular Weight 310.777 g/mol
SMILES C(CC(OCC=C(C)C)=O)C(OC1=C(C=C(C)C=C1)Cl)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.927223