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Glycine, N-[[4-[2-(3-cyano-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]sulfonyl]-
SpectraBase Compound ID DH3Sl5eti00
InChI InChI=1S/C18H14N6O5S/c19-10-15-17(18(27)24(23-15)13-4-2-1-3-5-13)22-21-12-6-8-14(9-7-12)30(28,29)20-11-16(25)26/h1-9,17,20H,11H2,(H,25,26)/b22-21+
InChIKey JTNIXNJWIRVILN-QURGRASLSA-N
Mol Weight 426.41 g/mol
Molecular Formula C18H14N6O5S
Exact Mass 426.074639 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9YlntaGcLGT
Name Glycine, N-[[4-[2-(3-cyano-4,5-dihydro-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]sulfonyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H14N6O5S
InChI InChI=1S/C18H14N6O5S/c19-10-15-17(18(27)24(23-15)13-4-2-1-3-5-13)22-21-12-6-8-14(9-7-12)30(28,29)20-11-16(25)26/h1-9,17,20H,11H2,(H,25,26)/b22-21+
InChIKey JTNIXNJWIRVILN-QURGRASLSA-N
Molecular Weight 426.407 g/mol
SMILES OC(CNS(=O)(=O)c1ccc(\N=N\C2C(=O)N(N=C2C#N)c2ccccc2)cc1)=O
SPLASH splash10-00ou-9411000000-fae05864041b5b9ad987
Source of Spectrum JX-2015-4-344
Synonyms 2-(4-((3-cyano-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenylsulfonamido)acetic acid
Wiley ID 1725787