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Pyrazol-5-amine, 3-(4-chlorophenyl)-1-phenyl-4-thiocyanato-
SpectraBase Compound ID GtBrROkQdMk
InChI InChI=1S/C16H11ClN4S/c17-12-8-6-11(7-9-12)14-15(22-10-18)16(19)21(20-14)13-4-2-1-3-5-13/h1-9H,19H2
InChIKey SYIWKADWQXMMQP-UHFFFAOYSA-N
Mol Weight 326.81 g/mol
Molecular Formula C16H11ClN4S
Exact Mass 326.039295 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4c84SjWPU8
Name Pyrazol-5-amine, 3-(4-chlorophenyl)-1-phenyl-4-thiocyanato-
Alternate Name(s) 5-Amino-3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl thiocyanate thiocyanic acid [5-amino-3-(4-chlorophenyl)-1-phenyl-4-pyrazolyl] ester [5-amino-3-(4-chlorophenyl)-1-phenylpyrazol-4-yl] thiocyanate [5-amino-3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl] thiocyanate [5-azanyl-3-(4-chlorophenyl)-1-phenyl-pyrazol-4-yl] thiocyanate
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Formula C16H11ClN4S
InChI InChI=1S/C16H11ClN4S/c17-12-8-6-11(7-9-12)14-15(22-10-18)16(19)21(20-14)13-4-2-1-3-5-13/h1-9H,19H2
InChIKey SYIWKADWQXMMQP-UHFFFAOYSA-N
Molecular Weight 326.805 g/mol
SMILES Nc1c(c(-c2ccc(cc2)Cl)n[n]1-c1ccccc1)SC#N
SPLASH splash10-004i-6925000000-a752760182a9cda82e71
Source of Spectrum AD-0-2532-0
Wiley ID 1432118