| 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 |
