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methyl 2-(1-(3-(furan-2-yl)-5-methyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl)ethylidene)hydrazine-1-carbodithioate
SpectraBase Compound ID F6R5OEKmslu
InChI InChI=1S/C18H17N5O3S2/c1-11(19-20-18(27)28-3)16-12(2)22(21-17(16)15-5-4-10-26-15)13-6-8-14(9-7-13)23(24)25/h4-10H,1-3H3,(H,20,27)
InChIKey AZDSFYAUQSKTGH-UHFFFAOYSA-N
Mol Weight 415.49 g/mol
Molecular Formula C18H17N5O3S2
Exact Mass 415.077282 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BS5DYuH3oIj
Name methyl 2-(1-(3-(furan-2-yl)-5-methyl-1-(4-nitrophenyl)-1H-pyrazol-4-yl)ethylidene)hydrazine-1-carbodithioate
Appearance Yellow crystals
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Exact Mass 415.077281772 u
Formula C18H17N5O3S2
InChI InChI=1S/C18H17N5O3S2/c1-11(19-20-18(27)28-3)16-12(2)22(21-17(16)15-5-4-10-26-15)13-6-8-14(9-7-13)23(24)25/h4-10H,1-3H3,(H,20,27)
InChIKey AZDSFYAUQSKTGH-UHFFFAOYSA-N
Instrument Name Shimadzu GCMS-QP-1000 EX
Ionization Type EI
Literature Reference DOI 10.1002/jhet.4611
Molecular Weight 415.486 g/mol
SMILES N(N=C(C)C=1C(=NN(C1C)C1=CC=C(C=C1)[N+](=O)[O-])C=1OC=CC1)C(=S)SC
SPLASH splash10-03di-0090000000-727c00057b9e3b8f8bcc
Source of Spectrum Y-60-592-19 (DOI: 10.1002/jhet.4611)
Wiley ID 1894530