| SpectraBase Spectrum ID |
DkxqO5EAWy8 |
| Name |
Phenylbutazone-A |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
205.110278725 u |
| Formula |
C12H15NO2 |
| InChI |
InChI=1S/C12H15NO2/c1-2-6-10(9-14)12(15)13-11-7-4-3-5-8-11/h3-5,7-10H,2,6H2,1H3,(H,13,15) |
| InChIKey |
ZJRNUTKZNGWDSG-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
205.257 g/mol |
| Nominal Mass |
205 u |
| Quality |
999 |
| Retention Index |
2437 |
| SMILES |
C(NC=1C=CC=CC1)(C(CCC)C=O)=O |
| SPLASH |
splash10-0a4u-9210000000-4b8b558bed08997fb3a0 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
Oxyphenbutazone-A
2-formyl-N-phenylpentanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_032776 |
