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3-Methylbut-2-enoic acid, 2,3-dichlorophenyl ester

View entire compound with spectra: 1 FTIR

3-Methylbut-2-enoic acid, 2,3-dichlorophenyl ester
SpectraBase Compound ID KjNLBau0r8S
InChI InChI=1S/C11H10Cl2O2/c1-7(2)6-10(14)15-9-5-3-4-8(12)11(9)13/h3-6H,1-2H3
InChIKey NLZMNLSZRDVQTO-UHFFFAOYSA-N
Mol Weight 245.1 g/mol
Molecular Formula C11H10Cl2O2
Exact Mass 244.005785 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID Aw7UUwtYdYD
Name 3-Methylbut-2-enoic acid, 2,3-dichlorophenyl ester
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 244.005784960 u
Formula C11H10Cl2O2
InChI InChI=1S/C11H10Cl2O2/c1-7(2)6-10(14)15-9-5-3-4-8(12)11(9)13/h3-6H,1-2H3
InChIKey NLZMNLSZRDVQTO-UHFFFAOYSA-N
Molecular Weight 245.105 g/mol
SMILES C(=C(C)C)C(=O)OC1=CC=CC(=C1Cl)Cl
Spectrum/Structure Validation Score (Vapor Phase IR) 0.928039