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Ramipril-A (-H2O)
SpectraBase Compound ID Juc6HCtntBW
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
Mol Weight 398.5 g/mol
Molecular Formula C23H30N2O4
Exact Mass 398.220557 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5Yx7ttpQFnc
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 997
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 splash10-0007-8791000000-67d47330c708984812bf
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_033266