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4-Acetamidoantipyrine
SpectraBase Compound ID 1cN9w66Iwtk
InChI InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
InChIKey OIAGWXKSCXPNNZ-UHFFFAOYSA-N
Mol Weight 245.28 g/mol
Molecular Formula C13H15N3O2
Exact Mass 245.116427 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Zihjjkzpo0
Name Metamizole-M (Nor,-CH2-SO3H) AC
Classification Pharmaceutical drug metabolite derivative
Comments Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 245.116426733 u
Formula C13H15N3O2
InChI InChI=1S/C13H15N3O2/c1-9-12(14-10(2)17)13(18)16(15(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,14,17)
InChIKey OIAGWXKSCXPNNZ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 245.282 g/mol
Nominal Mass 245 u
Quality 995
Retention Index 2049
SMILES C=1(C(N(N(C1C)C)C1=CC=CC=C1)=O)NC(=O)C
SPLASH splash10-0a59-9030000000-9a4be7a7b6130394b68c
Sample Comments Structure uncertain
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms 4-Acetamido-2,3-dimethyl-1-phenyl-pyrazol-5-one Aminoantipyrine AC N-Acetylaminoantipyrine N-(2,3-Dihydro-1,5-dimethyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)acetamide
Technique GC/MS
Wiley ID DD2024_033211