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QISOBCMNUJQOJU-UHFFFAOYSA-N

View entire compound with spectra: 1 NMR, 1 FTIR, and 2 MS (GC)

QISOBCMNUJQOJU-UHFFFAOYSA-N
SpectraBase Compound ID 1FSD8N5jH5D
InChI InChI=1S/C4H3BrN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)
InChIKey QISOBCMNUJQOJU-UHFFFAOYSA-N
Mol Weight 190.98 g/mol
Molecular Formula C4H3BrN2O2
Exact Mass 189.93779 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3thnkAjCux
Name 1H-Pyrazole-3-carboxylic acid, 4-bromo-
Alternate Name(s) 4-Bromanyl-1H-pyrazole-5-carboxylic acid 4-Bromo-1H-pyrazole-3-carboxylic acid 4-Bromo-1H-pyrazole-5-carboxylic acid
CAS Registry Number 13745-17-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C4H3BrN2O2
InChI InChI=1S/C4H3BrN2O2/c5-2-1-6-7-3(2)4(8)9/h1H,(H,6,7)(H,8,9)
InChIKey QISOBCMNUJQOJU-UHFFFAOYSA-N
Molecular Weight 190.984 g/mol
SMILES OC(c1n[nH]cc1Br)=O
SPLASH splash10-000f-9600000000-b6688ec1d25566ea3f1b
Wiley ID 1512136