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4-Chloro-3-[(cyclohexylamino)sulfonyl]benzoic acid
SpectraBase Compound ID 6AsapD665pw
InChI InChI=1S/C13H16ClNO4S/c14-11-7-6-9(13(16)17)8-12(11)20(18,19)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2,(H,16,17)
InChIKey WZIMNKPEJGJVQE-UHFFFAOYSA-N
Mol Weight 317.79 g/mol
Molecular Formula C13H16ClNO4S
Exact Mass 317.048857 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4VE1LbjAFjg
Name 4-Chloro-3-[(cyclohexylamino)sulfonyl]benzoic acid
Alternate Name(s) 4-Chloranyl-3-(cyclohexylsulfamoyl)benzoic acid 4-Chloro-3-(cyclohexylsulfamoyl)benzoic acid Benzoic acid, 4-chloro-3-cyclohexylaminosulfonyl-
CAS Registry Number 59815-51-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H16ClNO4S
InChI InChI=1S/C13H16ClNO4S/c14-11-7-6-9(13(16)17)8-12(11)20(18,19)15-10-4-2-1-3-5-10/h6-8,10,15H,1-5H2,(H,16,17)
InChIKey WZIMNKPEJGJVQE-UHFFFAOYSA-N
Molecular Weight 317.787 g/mol
SMILES N(S(c1cc(C(=O)O)ccc1Cl)(=O)=O)C1CCCCC1
SPLASH splash10-0597-9240000000-4f804135d42650af4a07
Source of Spectrum AD-0-2532-0
Wiley ID 1424099