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4-bromo-2-phenylsulfonylpyrazole-3-carboxylic acid
SpectraBase Compound ID 7hoe70wRYLA
InChI InChI=1S/C10H7BrN2O4S/c11-8-6-12-13(9(8)10(14)15)18(16,17)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKey GOTDMWMMENPZQD-UHFFFAOYSA-N
Mol Weight 331.14 g/mol
Molecular Formula C10H7BrN2O4S
Exact Mass 329.930991 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HjBNXjKTT2n
Name 2-(benzenesulfonyl)-4-bromo-3-pyrazolecarboxylic acid
CAS Registry Number 130874-34-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H7BrN2O4S
InChI InChI=1S/C10H7BrN2O4S/c11-8-6-12-13(9(8)10(14)15)18(16,17)7-4-2-1-3-5-7/h1-6H,(H,14,15)
InChIKey GOTDMWMMENPZQD-UHFFFAOYSA-N
Molecular Weight 331.140 g/mol
SMILES OC(c1[n](S(=O)(=O)c2ccccc2)ncc1Br)=O
SPLASH splash10-004i-9000000000-7b6efd094d7a4324c8ef
Source of Spectrum KC-1990-1832-16
Synonyms 2-(benzenesulfonyl)-4-bromo-pyrazole-3-carboxylic acid 2-besyl-4-bromo-pyrazole-3-carboxylic acid 4-Bromanyl-2-(phenylsulfonyl)pyrazole-3-carboxylic acid
Wiley ID 1327379