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JTDRORGQCPOPLU-UHFFFAOYSA-N
SpectraBase Compound ID 8WROKHiJuGB
InChI InChI=1S/C16H13BrN2O3S/c17-14-11-18-19(23(21,22)13-9-5-2-6-10-13)15(14)16(20)12-7-3-1-4-8-12/h1-11,16,20H
InChIKey JTDRORGQCPOPLU-UHFFFAOYSA-N
Mol Weight 393.26 g/mol
Molecular Formula C16H13BrN2O3S
Exact Mass 391.983026 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qrmV4eoLzW
Name 1H-Pyrazole-5-methanol, 4-bromo-.alpha.-phenyl-1-(phenylsulfonyl)-
CAS Registry Number 130874-36-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H13BrN2O3S
InChI InChI=1S/C16H13BrN2O3S/c17-14-11-18-19(23(21,22)13-9-5-2-6-10-13)15(14)16(20)12-7-3-1-4-8-12/h1-11,16,20H
InChIKey JTDRORGQCPOPLU-UHFFFAOYSA-N
Molecular Weight 393.255 g/mol
SMILES OC(c1[n](S(=O)(=O)c2ccccc2)ncc1Br)c1ccccc1
SPLASH splash10-0fb9-9080000000-eb9957777d70962b4bb2
Source of Spectrum KC-1990-1833-18
Synonyms 4-Bromo-1-phenylsulphonylpyrazol-5-yl(phenyl)methanol [4-bromo-1-(phenylsulfonyl)-1H-pyrazol-5-yl](phenyl)methanol
Wiley ID 1365593