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Trandolapril-A (-H2O)
SpectraBase Compound ID 3YEcfiKJKUD
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
Mol Weight 412.5 g/mol
Molecular Formula C24H32N2O4
Exact Mass 412.236208 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lhz1BN966rO
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 Chemical Ionization (CI)
Molecular Weight 412.530 g/mol
Nominal Mass 412 u
Reagent Gas Methane
Retention Index 3216
SMILES C12N(C(C(N(C2=O)C(C(OCC)=O)CCC=2C=CC=CC2)C)=O)C2C(C1)CCCC2
SPLASH splash10-03di-0113900000-cde4cba7b4b5da141be6
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_004078