| SpectraBase Spectrum ID |
8FMSPuD668O |
| Name |
Trandolapril-A (-H2O) |
| Classification |
Pharmaceutical drug artifact |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
412.236207514 u |
| Formula |
C24H32N2O4 |
| InChI |
InChI=1S/C24H32N2O4/c1-3-30-24(29)20(14-13-17-9-5-4-6-10-17)25-16(2)22(27)26-19-12-8-7-11-18(19)15-21(26)23(25)28/h4-6,9-10,16,18-21H,3,7-8,11-15H2,1-2H3 |
| InChIKey |
AKUCMKAPHCGRFV-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
412.530 g/mol |
| Nominal Mass |
412 u |
| Quality |
981 |
| Retention Index |
3216 |
| SMILES |
C12N(C(C(N(C2=O)C(C(OCC)=O)CCC=2C=CC=CC2)C)=O)C2C(C1)CCCC2 |
| SPLASH |
splash10-08fr-7975000000-a6d3140cb1562469c3d6 |
| Sample Comments |
Structure uncertain |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl 2-(3-methyl-1,4-dioxodecahydropyrazino[1,2-a]indol-2(1H)-yl)-4-phenylbutanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_004079 |
