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Glycine, N-[[3-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]sulfonyl]-
SpectraBase Compound ID 5bChVpOpbex
InChI InChI=1S/C18H17N5O5S/c1-12-17(18(26)23(22-12)14-7-3-2-4-8-14)21-20-13-6-5-9-15(10-13)29(27,28)19-11-16(24)25/h2-10,17,19H,11H2,1H3,(H,24,25)/b21-20+
InChIKey XRIQNPFXAMQKJE-QZQOTICOSA-N
Mol Weight 415.42 g/mol
Molecular Formula C18H17N5O5S
Exact Mass 415.09504 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DNA1s9k2MMq
Name Glycine, N-[[3-[2-(4,5-dihydro-3-methyl-5-oxo-1-phenyl-1H-pyrazol-4-yl)diazenyl]phenyl]sulfonyl]-
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H17N5O5S
InChI InChI=1S/C18H17N5O5S/c1-12-17(18(26)23(22-12)14-7-3-2-4-8-14)21-20-13-6-5-9-15(10-13)29(27,28)19-11-16(24)25/h2-10,17,19H,11H2,1H3,(H,24,25)/b21-20+
InChIKey XRIQNPFXAMQKJE-QZQOTICOSA-N
Molecular Weight 415.424 g/mol
SMILES N(S(c1cccc(\N=N\C2C(C)=NN(C2=O)c2ccccc2)c1)(=O)=O)CC(O)=O
SPLASH splash10-0ftf-9320100000-409cfb7f277f9a6e2d64
Source of Spectrum JX-2015-4-212
Synonyms 2-(3-((3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)diazenyl)phenylsulfonamido)acetic acid
Wiley ID 1725661