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1H-Pyrazole-1-carboximidamide, 4-[[4-(aminosulfonyl)phenyl]hydrazono]-4,5-dihydro-3-methyl-5-oxo-
SpectraBase Compound ID 8Nq0XK6kXTa
InChI InChI=1S/C11H13N7O3S/c1-6-9(10(19)18(17-6)11(12)13)16-15-7-2-4-8(5-3-7)22(14,20)21/h2-5,15H,1H3,(H3,12,13)(H2,14,20,21)/b16-9+
InChIKey ICAASZZHEIHUKQ-CXUHLZMHSA-N
Mol Weight 323.33 g/mol
Molecular Formula C11H13N7O3S
Exact Mass 323.080058 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2NZD2hS6xE4
Name 1H-Pyrazole-1-carboximidamide, 4-[[4-(aminosulfonyl)phenyl]hydrazono]-4,5-dihydro-3-methyl-5-oxo-
CAS Registry Number 47220-10-0
Comments Structure changed after expert review
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H13N7O3S
InChI InChI=1S/C11H13N7O3S/c1-6-9(10(19)18(17-6)11(12)13)16-15-7-2-4-8(5-3-7)22(14,20)21/h2-5,15H,1H3,(H3,12,13)(H2,14,20,21)/b16-9+
InChIKey ICAASZZHEIHUKQ-CXUHLZMHSA-N
Molecular Weight 323.331 g/mol
SMILES N(\N=C\1C(N(C(N)=N)N=C1C)=O)c1ccc(S(=N)(O)=O)cc1
SPLASH splash10-002g-9420000000-da140991f3d0ac0ef27a
Source of Spectrum O-7-689-10
Synonyms 4-((2E)-2-(1-[Amino(imino)methyl]-3-methyl-5-oxo-1,5-dihydro-4H-pyrazol-4-ylidene)hydrazino)benzenesulfonimidic acid
Wiley ID 1322263