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Benazepril 2ME II
SpectraBase Compound ID 4mTra9JzRnR
InChI InChI=1S/C26H32N2O5/c1-4-33-26(31)23(16-14-19-10-6-5-7-11-19)27(2)22-17-15-20-12-8-9-13-21(20)28(25(22)30)18-24(29)32-3/h5-13,22-23H,4,14-18H2,1-3H3/t22-,23?/m0/s1
InChIKey VOJRVTDZIDRMJD-NQCNTLBGSA-N
Mol Weight 452.6 g/mol
Molecular Formula C26H32N2O5
Exact Mass 452.231122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JFyAkHR32rg
Name Benazepril 2ME II
Classification Pharmaceutical drug derivative
Copyright Copyright © 2024 DigiLab GmbH and Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 452.231122133 u
Formula C26H32N2O5
InChI InChI=1S/C26H32N2O5/c1-4-33-26(31)23(16-14-19-10-6-5-7-11-19)27(2)22-17-15-20-12-8-9-13-21(20)28(25(22)30)18-24(29)32-3/h5-13,22-23H,4,14-18H2,1-3H3/t22-,23?/m0/s1
InChIKey VOJRVTDZIDRMJD-NQCNTLBGSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 452.551 g/mol
Nominal Mass 452 u
Quality 946
Retention Index 3468
SMILES C=12N(C([C@](CCC2=CC=CC1)(N(C(C(OCC)=O)CCC=1C=CC=CC1)C)[H])=O)CC(OC)=O
SPLASH splash10-005c-1935100000-cd1135eb49cbb01519f3
Source of Spectrum DigiLab GmbH (C) 2024
Synonyms ethyl 2-(((3S)-1-(2-methoxy-2-oxoethyl)-2-oxo-2,3,4,5-tetrahydro-1H-1-benzazepin-3-yl)\r(methyl)amino)-4-phenylbutanoate
Technique GC/MS
Wiley ID DD2024_006340