SpectraBase Spectrum ID |
5YQMIWajv3A |
Name |
Ramipril-A (-H2O) |
Classification |
Pharmaceutical drug artifact |
Comments |
Spectrum verified by independent measurements in external laboratories |
Copyright |
Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved. |
Exact Mass |
398.220557450 u |
Formula |
C23H30N2O4 |
InChI |
InChI=1S/C23H30N2O4/c1-3-28-22(26)18(13-12-16-8-5-4-6-9-16)24-15(2)21-25-19-11-7-10-17(19)14-20(25)23(27)29-21/h4-6,8-9,17-20,24H,3,7,10-14H2,1-2H3/b21-15-/t17-,18+,19-,20-/m0/s1 |
InChIKey |
NJTKEHUQBODWHX-FYLDQVMMSA-N |
Ionization Type |
Electron Ionization (EI) |
Molecular Weight |
398.503 g/mol |
Nominal Mass |
398 u |
Quality |
971 |
Retention Index |
3230 |
SMILES |
[C@@]12(N3[C@@](C[C@@]2(CCC1)[H])(C(O\C3=C/(N[C@@](C(OCC)=O)(CCC=1C=CC=CC1)[H])C)=O)[H])[H] |
SPLASH |
splash10-0007-5690000000-5680094e75284f829f6d |
Source of Spectrum |
DigiLab GmbH (C) 2024 |
Synonyms |
ethyl (2R)-2-((1-((3Z,4aS,7aS,8aS)-1-oxooctahydro-3H-cyclopenta[4,5]pyrrolo[1,2-c][1,3]oxazol-\r3-ylidene)ethyl)amino)-4-phenylbutanoate |
Technique |
GC/MS |
Wiley ID |
DD2024_025638 |