| SpectraBase Spectrum ID |
6GLaJvEBAsA |
| Name |
Labetalol 3AC |
| Classification |
Pharmaceutical drug derivative |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
454.210386688 u |
| Formula |
C25H30N2O6 |
| InChI |
InChI=1S/C25H30N2O6/c1-16(10-11-20-8-6-5-7-9-20)27(17(2)28)15-24(33-19(4)30)21-12-13-23(32-18(3)29)22(14-21)25(26)31/h5-9,12-14,16,24H,10-11,15H2,1-4H3,(H2,26,31) |
| InChIKey |
ZNALZCZTIWXYQT-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
454.523 g/mol |
| Nominal Mass |
454 u |
| Quality |
921 |
| Retention Index |
3435 |
| SMILES |
NC(C1=C(C=CC(C(CN(C(CCC2=CC=CC=C2)C)C(=O)C)OC(=O)C)=C1)OC(=O)C)=O |
| SPLASH |
splash10-001c-3933000000-7bc984adfd54f7a5174a |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
4-(1-(acetyloxy)-2-(acetyl(4-phenylbutan-2-yl)amino)ethyl)-2-carbamoylphenyl acetate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_007949 |
