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2-[3-Chloro-4-methylphenyl]succinic acid

View entire compound with spectra: 1 FTIR

2-[3-Chloro-4-methylphenyl]succinic acid
SpectraBase Compound ID CxlX2TVRRxz
InChI InChI=1S/C11H11ClO4/c1-6-2-3-7(4-9(6)12)8(11(15)16)5-10(13)14/h2-4,8H,5H2,1H3,(H,13,14)(H,15,16)
InChIKey JZIXZIAFXVQYCL-UHFFFAOYSA-N
Mol Weight 242.66 g/mol
Molecular Formula C11H11ClO4
Exact Mass 242.034587 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 8ST5OHBYYM9
Name 2-[3-Chloro-4-methylphenyl]succinic acid
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 242.034586530 u
Formula C11H11ClO4
InChI InChI=1S/C11H11ClO4/c1-6-2-3-7(4-9(6)12)8(11(15)16)5-10(13)14/h2-4,8H,5H2,1H3,(H,13,14)(H,15,16)
InChIKey JZIXZIAFXVQYCL-UHFFFAOYSA-N
Molecular Weight 242.658 g/mol
SMILES C1(=C(C=C(C=C1)C(CC(O)=O)C(O)=O)Cl)C
Spectrum/Structure Validation Score (Vapor Phase IR) 0.817107