| SpectraBase Spectrum ID |
Dl0fXeRj53g |
| Name |
Acebutolol-M/A |
| Classification |
Pharmaceutical drug metabolite, artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found); Spectrum verified by independent measurements in external laboratories |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
221.105193344 u |
| Formula |
C12H15NO3 |
| InChI |
InChI=1S/C12H15NO3/c1-3-4-12(16)13-9-5-6-11(15)10(7-9)8(2)14/h5-7,15H,3-4H2,1-2H3,(H,13,16) |
| InChIKey |
FGWZEOPEZISTTR-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
221.256 g/mol |
| Nominal Mass |
221 u |
| Quality |
878 |
| Retention Index |
1944 |
| SMILES |
OC1=C(C=C(NC(CCC)=O)C=C1)C(=O)C |
| SPLASH |
splash10-0udi-1920000000-8814f2ada2522fd3e80e |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
N-(3-Acetyl-4-hydroxyphenyl)butanamide |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007913 |
