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1-(4'-Bromophenacyl)-4-(toluenesulfonyl)imino-1H-1,2,4-triazolium ylide
SpectraBase Compound ID DDMENALP0zH
InChI InChI=1S/C17H15BrN4O3S/c1-13-2-8-16(9-3-13)26(24,25)20-22-11-19-21(12-22)10-17(23)14-4-6-15(18)7-5-14/h2-9,11-12H,10H2,1H3
InChIKey JDPVHKOWAFLIHJ-UHFFFAOYSA-N
Mol Weight 435.3 g/mol
Molecular Formula C17H15BrN4O3S
Exact Mass 434.004825 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lp2W6mq6sTi
Name 1-(4'-Bromophenacyl)-4-(toluenesulfonyl)imino-1H-1,2,4-triazolium ylide
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H15BrN4O3S
InChI InChI=1S/C17H15BrN4O3S/c1-13-2-8-16(9-3-13)26(24,25)20-22-11-19-21(12-22)10-17(23)14-4-6-15(18)7-5-14/h2-9,11-12H,10H2,1H3
InChIKey JDPVHKOWAFLIHJ-UHFFFAOYSA-N
Molecular Weight 435.296 g/mol
SMILES c1(S([N-][n+]2c[n](CC(c3ccc(cc3)Br)=O)nc2)(=O)=O)ccc(C)cc1
SPLASH splash10-053f-7910000000-a4e83f6df5db6c2430e3
Source of Spectrum Y-30-1411-23
Synonyms [1-[2-(4-bromophenyl)-2-oxoethyl]-1,2,4-triazol-1-ium-4-yl]-(4-methylphenyl)sulfonylazanide [1-[2-(4-bromophenyl)-2-oxo-ethyl]-1,2,4-triazol-1-ium-4-yl]-(p-tolylsulfonyl)azanide [1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1,2,4-triazol-1-ium-4-yl]-(4-methylphenyl)sulfonyl-azanide
Wiley ID 761200