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2-chloro-5-methylsulfanylbenzoic acid

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2-chloro-5-methylsulfanylbenzoic acid
SpectraBase Compound ID EwIYifgqEFd
InChI InChI=1S/C8H7ClO2S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey HJDZJDJRUVAYTR-UHFFFAOYSA-N
Mol Weight 202.65 g/mol
Molecular Formula C8H7ClO2S
Exact Mass 201.985528 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4HBm0D0tAMn
Name 2-Chloro-5-(methylthio)benzoic acid
Source of Sample Sigma-Aldrich Co. LLC.
Catalog Number 245380
CAS Registry Number 51546-12-4
Copyright Copyright © 2021-2024 Sigma-Aldrich Co. LLC. - Database Compilation Copyright © 2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H7ClO2S
InChI InChI=1S/C8H7ClO2S/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11)
InChIKey HJDZJDJRUVAYTR-UHFFFAOYSA-N
Observed nucleus 1H
Purity 96%
Solvent CDCl3
Source of Spectrum Sigma-Aldrich Co. LLC.
Wiley ID SIAL_1HNMR_004040