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o-[(carbamoylmethyl)thio]benzoic acid

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o-[(carbamoylmethyl)thio]benzoic acid
SpectraBase Compound ID KQce15AhXrx
InChI InChI=1S/C9H9NO3S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13)
InChIKey CTLJJQVIQIPRFS-UHFFFAOYSA-N
Mol Weight 211.23 g/mol
Molecular Formula C9H9NO3S
Exact Mass 211.030314 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DtXNzXFkA2q
Name o-[(CARBAMOYLMETHYL)THIO]BENZOIC ACID
Source of Sample Aldrich Chemical Company, Inc., Milwaukee, Wisconsin
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H9NO3S
InChI InChI=1S/C9H9NO3S/c10-8(11)5-14-7-4-2-1-3-6(7)9(12)13/h1-4H,5H2,(H2,10,11)(H,12,13)
InChIKey CTLJJQVIQIPRFS-UHFFFAOYSA-N
Molecular Weight 211.24
Solvent Dimethyl sulfoxide-d6; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZOIC ACID, O-//CARBAMOYLMETHYL/THIO/-,