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(E)-2-(2-(3-Methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
SpectraBase Compound ID 7iA0QUujbAA
InChI InChI=1S/C19H17N5OS/c1-12-17(19(25)24(23-12)13-7-3-2-4-8-13)21-22-18-15(11-20)14-9-5-6-10-16(14)26-18/h2-4,7-8,22H,5-6,9-10H2,1H3/b21-17+
InChIKey NQVYEEDBZQPXHH-HEHNFIMWSA-N
Mol Weight 363.44 g/mol
Molecular Formula C19H17N5OS
Exact Mass 363.115381 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8VvcCyhaQnP
Name (E)-2-(2-(3-Methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile
Appearance Orange powder
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Exact Mass 363.115381360 u
Formula C19H17N5OS
InChI InChI=1S/C19H17N5OS/c1-12-17(19(25)24(23-12)13-7-3-2-4-8-13)21-22-18-15(11-20)14-9-5-6-10-16(14)26-18/h2-4,7-8,22H,5-6,9-10H2,1H3/b21-17+
InChIKey NQVYEEDBZQPXHH-HEHNFIMWSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2012.06.004
Molecular Weight 363.439 g/mol
Quality 104
SMILES N(C1=C(C=2CCCCC2S1)C#N)\N=C/1C(=NN(C1=O)C1=CC=CC=C1)C
SPLASH splash10-03di-1009000000-bc449e5bc0211e8c6921
Source of Spectrum SCS-20-155-5f (DOI: 10.1016/j.jscs.2012.06.004)
Wiley ID 1892591