| SpectraBase Spectrum ID |
2kOdXkkjZzs |
| Name |
4-Formylaminoantipyrine |
| CAS Registry Number |
1672-58-8 |
| Classification |
Pharmaceutical drug metabolite derivative |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024-2025 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
231.100776669 u |
| Formula |
C12H13N3O2 |
| InChI |
InChI=1S/C12H13N3O2/c1-9-11(13-8-16)12(17)15(14(9)2)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,16) |
| InChIKey |
WSJBSKRPKADYRQ-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
231.255 g/mol |
| Nominal Mass |
231 u |
| Quality |
994 |
| SMILES |
C=1(C(N(N(C1C)C)C1=CC=CC=C1)=O)NC=O |
| SPLASH |
splash10-0a59-9010000000-9283831d2b07885fe0ed |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)formamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_034612 |
