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1H-Pyrazole-5-methanol, 4-bromo-.alpha.,.alpha.-diphenyl-1-(phenylsulfonyl)-
SpectraBase Compound ID 6Xo3YMAPfJk
InChI InChI=1S/C22H17BrN2O3S/c23-20-16-24-25(29(27,28)19-14-8-3-9-15-19)21(20)22(26,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16,26H
InChIKey DDWCHRYARGOGGU-UHFFFAOYSA-N
Mol Weight 469.35 g/mol
Molecular Formula C22H17BrN2O3S
Exact Mass 468.014327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fF8A2n1MH1
Name 1H-Pyrazole-5-methanol, 4-bromo-.alpha.,.alpha.-diphenyl-1-(phenylsulfonyl)-
Alternate Name(s) 4-Buomo-1-phenylsulphonylpyrazol-5-yl(diphenyl)mehtanol [4-bromo-1-(phenylsulfonyl)-1H-pyrazol-5-yl](diphenyl)methanol
CAS Registry Number 130874-37-2
Comments Less than 3 mono-isotopic peaks
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Formula C22H17BrN2O3S
InChI InChI=1S/C22H17BrN2O3S/c23-20-16-24-25(29(27,28)19-14-8-3-9-15-19)21(20)22(26,17-10-4-1-5-11-17)18-12-6-2-7-13-18/h1-16,26H
InChIKey DDWCHRYARGOGGU-UHFFFAOYSA-N
Molecular Weight 469.353 g/mol
SMILES OC(c1[n](S(=O)(=O)c2ccccc2)ncc1Br)(c1ccccc1)c1ccccc1
SPLASH splash10-004i-9000100000-e6fc35f1ff104f3ec40f
Source of Spectrum KC-1990-1833-19
Wiley ID 1392318