| SpectraBase Spectrum ID |
3y3iwYC9BGT |
| Name |
4-Aminoantipyrine |
| Acquisition Mode |
SIMULTANEOUS |
| CAS Registry Number |
83-07-8 |
| Comments |
100 mM 4-Aminoantipyrine hydrochloride - vendor: Acros 400630250; Solvent: D2O; Buffers, etc: 50 mM Sodium Phosphate, 500 uM NaAzide; Temperature=298 K, pH=7.4; NMR Reference: 500 uM DSS; Bruker DMX 400MHz
(Data collected by Madison Metabolomics Consortium) |
| Copyright |
Database Compilation Copyright © 2021-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Data Source |
Madison Metabolomics Consortium |
| Formula |
C11H13N3O |
| IUPAC Name |
4-amino-1,5-dimethyl-2-phenyl-pyrazol-3-one |
| InChI |
InChI=1S/C11H13N3O/c1-8-10(12)11(15)14(13(8)2)9-6-4-3-5-7-9/h3-7H,12H2,1-2H3 |
| InChIKey |
RLFWWDJHLFCNIJ-UHFFFAOYSA-N |
| PubChem Compound ID |
2151 |
| SMILES |
CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N |
| Source File Reference |
bmse000147 |
