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Ethyl-2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-4-methyl-5-(phenylcarbamoyl) thiophene-3-carboxylate
SpectraBase Compound ID HmpanRTbbl3
InChI InChI=1S/C18H19N7O3S/c1-3-28-18(27)11-9(2)13(16(26)21-10-7-5-4-6-8-10)29-17(11)25-22-12-14(19)23-24-15(12)20/h4-8H,3H2,1-2H3,(H,21,26)(H5,19,20,23,24)
InChIKey MCMFALIGUPEXRN-UHFFFAOYSA-N
Mol Weight 413.46 g/mol
Molecular Formula C18H19N7O3S
Exact Mass 413.127009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KHd09oAYfrN
Name Ethyl-2-[(3,5-diamino-1H-pyrazol-4-yl)diazenyl]-4-methyl-5-(phenylcarbamoyl) thiophene-3-carboxylate
Appearance Red crystals
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H19N7O3S
InChI InChI=1S/C18H19N7O3S/c1-3-28-18(27)11-9(2)13(16(26)21-10-7-5-4-6-8-10)29-17(11)25-22-12-14(19)23-24-15(12)20/h4-8H,3H2,1-2H3,(H,21,26)(H5,19,20,23,24)
InChIKey MCMFALIGUPEXRN-UHFFFAOYSA-N
Instrument Name Finnegan MAT 212
Ionization Type EI
Literature Reference DOI 10.1002/jhet.2622
Molecular Weight 413.456 g/mol
SMILES N(C(c1c(c(c(N=Nc2c(n[nH]c2N)N)s1)C(OCC)=O)C)=O)c1ccccc1
SPLASH splash10-000j-9542100000-6b4b859912cb463f44b7
Source of Spectrum Y-54-565-3
Wiley ID 1880705