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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-carboxamide
SpectraBase Compound ID J8449bbdq97
InChI InChI=1S/C19H19N5O2S/c1-11-16(19(26)24(23-11)12-7-3-2-4-8-12)21-22-18-15(17(20)25)13-9-5-6-10-14(13)27-18/h2-4,7-8,22H,5-6,9-10H2,1H3,(H2,20,25)/b21-16+
InChIKey XHVQDGOSQYCJTQ-LTGZKZEYSA-N
Mol Weight 381.45 g/mol
Molecular Formula C19H19N5O2S
Exact Mass 381.125946 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 24NrG8WGGAT
Name (E)-2-(2-(3-Methyl-5-oxo-1-phenyl-1H-pyrazol-4(5H)-ylidene)hydrazinyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
Appearance Orange powder
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 381.125946044 u
Formula C19H19N5O2S
InChI InChI=1S/C19H19N5O2S/c1-11-16(19(26)24(23-11)12-7-3-2-4-8-12)21-22-18-15(17(20)25)13-9-5-6-10-14(13)27-18/h2-4,7-8,22H,5-6,9-10H2,1H3,(H2,20,25)/b21-16+
InChIKey XHVQDGOSQYCJTQ-LTGZKZEYSA-N
Instrument Name Kratos MS
Ionization Type EI
Literature Reference DOI 10.1016/j.jscs.2012.06.004
Molecular Weight 381.454 g/mol
Quality 30
SMILES NC(C1=C(SC=2CCCCC12)N\N=C/1C(=NN(C1=O)C1=CC=CC=C1)C)=O
SPLASH splash10-03di-0009000000-dc5e2e415c5de37f2591
Source of Spectrum SCS-20-155-5e (DOI: 10.1016/j.jscs.2012.06.004)
Wiley ID 1892590