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Aminophenazone
SpectraBase Compound ID 5LjLCgU9QUC
InChI InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
InChIKey RMMXTBMQSGEXHJ-UHFFFAOYSA-N
Mol Weight 231.3 g/mol
Molecular Formula C13H17N3O
Exact Mass 231.137162 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Y6YLP41dXE
Name Aminophenazone
CAS Registry Number 58-15-1
Classification Pharmaceutical drug metabolite, analgesic
Comments Spectrum verified by crosschecking against external libraries (two reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 231.137162178 u
Formula C13H17N3O
InChI InChI=1S/C13H17N3O/c1-10-12(14(2)3)13(17)16(15(10)4)11-8-6-5-7-9-11/h5-9H,1-4H3
InChIKey RMMXTBMQSGEXHJ-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 231.299 g/mol
Nominal Mass 231 u
Quality 999
Retention Index 1903
SMILES C=1(N(N(C(C1N(C)C)=O)C1=CC=CC=C1)C)C
SPLASH splash10-0a4j-9320000000-7c64f3ca33c778ee1ac0
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms Amidopyrine Aminopyrine Metamizole-M/A (-CH2HSO3H) ME 4-Dimethylamino-1,5-dimethyl-2-phenylpyrazol-3-one
Technique GC/MS
Wiley ID DD2024_018332