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3-METHYL-5-PHENYL-4-OXO-4H-PYRAZOLE-1,2-DIOXIDE
SpectraBase Compound ID bUcZMd3INt
InChI InChI=1S/C10H8N2O3/c1-7-10(13)9(12(15)11(7)14)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey KSMKASCJTRVXPR-UHFFFAOYSA-N
Mol Weight 204.18 g/mol
Molecular Formula C10H8N2O3
Exact Mass 204.053492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1kE22Rwr4K
Name 4H-Pyrazol-4-one, 3-methyl-5-phenyl-, 1,2-dioxide
CAS Registry Number 16901-38-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H8N2O3
InChI InChI=1S/C10H8N2O3/c1-7-10(13)9(12(15)11(7)14)8-5-3-2-4-6-8/h2-6H,1H3
InChIKey KSMKASCJTRVXPR-UHFFFAOYSA-N
Molecular Weight 204.185 g/mol
SMILES c1(C=2C(=O)C(=[N+]([O-])[N+]2[O-])C)ccccc1
SPLASH splash10-0uy0-9420000000-55b8a19f195434e479eb
Source of Spectrum Y-13-987-0
Synonyms 3-Methyl-5-phenyl-4H-pyrazol-4-one 1,2-dioxide 3-Phenyl-4-oxo-5-methyl-4H-pyrazole 1,2-dioxide 3-Methyl-1,2-dioxido-5-phenyl-4-pyrazole-1,2-diiumone 3-Methyl-1,2-dioxido-5-phenylpyrazole-1,2-diium-4-one 3-Methyl-1,2-bis(oxidanidyl)-5-phenyl-pyrazole-1,2-diium-4-one NSC 208696
Wiley ID 1201473