SpectraBase Spectrum ID |
46QchMGFUWN |
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 |
splash10-0a5a-9030000000-90c74396f33b81d993b3 |
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_033238 |