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Pyrazol-5-amine, 3-(3-bromophenyl)-1-phenyl-4-thiocyanato-
SpectraBase Compound ID LShJNMzEBik
InChI InChI=1S/C16H11BrN4S/c17-12-6-4-5-11(9-12)14-15(22-10-18)16(19)21(20-14)13-7-2-1-3-8-13/h1-9H,19H2
InChIKey BCFYZIQPQZWYSQ-UHFFFAOYSA-N
Mol Weight 371.26 g/mol
Molecular Formula C16H11BrN4S
Exact Mass 369.988781 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2pvMNUDydL5
Name Pyrazol-5-amine, 3-(3-bromophenyl)-1-phenyl-4-thiocyanato-
Alternate Name(s) 5-Amino-3-(3-bromophenyl)-1-phenyl-1H-pyrazol-4-yl thiocyanate thiocyanic acid [5-amino-3-(3-bromophenyl)-1-phenyl-4-pyrazolyl] ester [5-amino-3-(3-bromophenyl)-1-phenylpyrazol-4-yl] thiocyanate [5-amino-3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl] thiocyanate [5-azanyl-3-(3-bromophenyl)-1-phenyl-pyrazol-4-yl] thiocyanate
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Formula C16H11BrN4S
InChI InChI=1S/C16H11BrN4S/c17-12-6-4-5-11(9-12)14-15(22-10-18)16(19)21(20-14)13-7-2-1-3-8-13/h1-9H,19H2
InChIKey BCFYZIQPQZWYSQ-UHFFFAOYSA-N
Molecular Weight 371.256 g/mol
SMILES Nc1c(c(-c2cc(Br)ccc2)n[n]1-c1ccccc1)SC#N
SPLASH splash10-00vi-8934000000-4fd2d859319ec998340b
Source of Spectrum AD-0-2532-0
Wiley ID 1432148