| SpectraBase Spectrum ID |
2niCb1mWAym |
| Name |
Labetalol-A (-H2O) AC |
| Classification |
Pharmaceutical drug artifact derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
352.178692638 u |
| Formula |
C21H24N2O3 |
| InChI |
InChI=1S/C21H24N2O3/c1-15(8-9-17-6-4-3-5-7-17)23-13-12-18-10-11-20(26-16(2)24)19(14-18)21(22)25/h3-7,10-15,23H,8-9H2,1-2H3,(H2,22,25)/b13-12+ |
| InChIKey |
HJMDNBSNRJJNOP-OUKQBFOZSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
352.434 g/mol |
| Nominal Mass |
352 u |
| Quality |
859 |
| Retention Index |
2758 |
| SMILES |
NC(C1=C(C=CC(=C1)\C=C\NC(CCC=1C=CC=CC1)C)OC(=O)C)=O |
| SPLASH |
splash10-0w2c-3943000000-e63657c93cdb7c5d38f7 |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
2-carbamoyl-4-((E)-2-((4-phenylbutan-2-yl)amino)ethenyl)phenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007950 |
