| SpectraBase Spectrum ID |
8Fqp5kBbxEe |
| Name |
Quinapril-A (-H2O) |
| Classification |
Pharmaceutical drug artifact |
| Comments |
Spectrum verified by crosschecking against external libraries (one reference spectrum with similarity >= 99% found) |
| Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
| Exact Mass |
420.204907386 u |
| Formula |
C25H28N2O4 |
| InChI |
InChI=1S/C25H28N2O4/c1-3-31-25(30)23(14-13-19-9-5-4-6-10-19)26-18(2)24(29)27-16-21-12-8-7-11-20(21)15-22(27)17-28/h4-12,18,23,26H,3,13-16H2,1-2H3 |
| InChIKey |
NEWFYPCGSZCFEK-UHFFFAOYSA-N |
| Ionization Type |
Electron Ionization (EI) |
| Molecular Weight |
420.509 g/mol |
| Nominal Mass |
420 u |
| Quality |
940 |
| Retention Index |
3285 |
| SMILES |
C(N1C(CC2=C(C1)C=CC=C2)=C=O)(C(NC(C(OCC)=O)CCC1=CC=CC=C1)C)=O |
| SPLASH |
splash10-01b9-3896000000-aabd18f0c6443f14b7cf |
| Source of Spectrum |
DigiLab GmbH (C) 2024 |
| Synonyms |
ethyl 2-((1-oxo-1-(3-(oxomethylidene)-3,4-dihydroisoquinolin-2(1H)-yl)propan-2-yl)amino)-4-\rphenylbutanoate |
| Technique |
GC/MS |
| Wiley ID |
DD2024_009240 |
