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4-(4-phenyl-1H-1,2,3-triazol-1-yl)-3-(phenylselenyl)benzenesulfonamide
SpectraBase Compound ID 9Yhu3KQPLt6
InChI InChI=1S/C20H16N4O2SSe/c21-27(25,26)16-11-12-19(20(13-16)28-17-9-5-2-6-10-17)24-14-18(22-23-24)15-7-3-1-4-8-15/h1-14H,(H2,21,25,26)
InChIKey OFTWIHDBLBCUHI-UHFFFAOYSA-N
Mol Weight 455.41 g/mol
Molecular Formula C20H16N4O2SSe
Exact Mass 456.015919 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KNY5fYYYNDV
Name 4-(4-phenyl-1H-1,2,3-triazol-1-yl)-3-(phenylselenyl)benzenesulfonamide
Appearance Yellow solid
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Formula C20H16N4O2SSe
InChI InChI=1S/C20H16N4O2SSe/c21-27(25,26)16-11-12-19(20(13-16)28-17-9-5-2-6-10-17)24-14-18(22-23-24)15-7-3-1-4-8-15/h1-14H,(H2,21,25,26)
InChIKey OFTWIHDBLBCUHI-UHFFFAOYSA-N
Instrument Name Shimadzu GC-MS-QP2010
Ionization Type EI
Literature Reference DOI 10.1002/cmdc.202100507
Molecular Weight 455.406 g/mol
Reported Formula C20H16N4O2SSe
SMILES NS(c1ccc(c(c1)[Se]c1ccccc1)-[n]1cc(nn1)-c1ccccc1)(=O)=O
SPLASH splash10-0uk9-1944200000-68aa5364a1617fa32e5e
Source of Spectrum CMC-17-8-8
Wiley ID 1873307