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4-Phenyl-3-phenylamino-1-methyl-5-methylthio-4H-1,2,4-triazolium tetrafluoroborate

View entire compound with spectra: 1 MS (GC)

4-Phenyl-3-phenylamino-1-methyl-5-methylthio-4H-1,2,4-triazolium tetrafluoroborate
SpectraBase Compound ID 6PYKNw7IuAy
InChI InChI=1S/C16H17N4S.BF4/c1-19-16(21-2)20(14-11-7-4-8-12-14)15(18-19)17-13-9-5-3-6-10-13;2-1(3,4)5/h3-12H,1-2H3,(H,17,18);/q+1;-1
InChIKey TUWXZMBPUIHNAA-UHFFFAOYSA-N
Mol Weight 384.2 g/mol
Molecular Formula C16H17BF4N4S
Exact Mass 384.120311 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JDeF3c31bf
Name 4-Phenyl-3-phenylamino-1-methyl-5-methylthio-4H-1,2,4-triazolium tetrafluoroborate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H17BF4N4S
InChI InChI=1S/C16H17N4S.BF4/c1-19-16(21-2)20(14-11-7-4-8-12-14)15(18-19)17-13-9-5-3-6-10-13;2-1(3,4)5/h3-12H,1-2H3,(H,17,18);/q+1;-1
InChIKey TUWXZMBPUIHNAA-UHFFFAOYSA-N
Molecular Weight 384.204 g/mol
SMILES [B-](F)(F)(F)F.N(c1[n](c([n+](C)n1)SC)-c1ccccc1)c1ccccc1
SPLASH splash10-003r-6690000000-09d3eda25931cb3ad1e9
Source of Spectrum SO-0-923-4
Synonyms 3-Anilino-1-methyl-5-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazol-1-ium tetrafluoroborate 4-Phenyl-3-phenylamino-1-methyl-5-methylthio-4,5-dihydro-1H-1,2,4-triazolium tetrafluoroborate
Wiley ID 1541019