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Quinapril -H2O
SpectraBase Compound ID FyvGX5KnBZS
InChI InChI=1S/C25H28N2O4/c1-3-31-25(30)21(14-13-18-9-5-4-6-10-18)27-17(2)23(28)26-16-20-12-8-7-11-19(20)15-22(26)24(27)29/h4-12,17,21-22H,3,13-16H2,1-2H3
InChIKey NDDYKENLGBOEPD-UHFFFAOYSA-N
Mol Weight 420.51 g/mol
Molecular Formula C25H28N2O4
Exact Mass 420.204907 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3MkWpRHjdI
Name Quinapril -H2O
Classification Antihypertensive
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Exact Mass 420.204907386 u
Formula C25H28N2O4
InChI InChI=1S/C25H28N2O4/c1-3-31-25(30)21(14-13-18-9-5-4-6-10-18)27-17(2)23(28)26-16-20-12-8-7-11-19(20)15-22(26)24(27)29/h4-12,17,21-22H,3,13-16H2,1-2H3
InChIKey NDDYKENLGBOEPD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 420.509 g/mol
SMILES c1ccc(CCC(N2C(C(N3C(C2=O)Cc2c(C3)cccc2)=O)C)C(=O)OCC)cc1
SPLASH splash10-0gc3-4921000000-fb770f441d14ef431351
Sample Comments The MMPW Reference Handbook and associated Tables are attached to Record #1, under the Attachments tab. Refer to these references for an explanation of the Sample Preparation Procedure "Detected" abbreviations, as well as other relevant information pertaining to this database.
Sample Preparation Procedure Detected: G
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Technique GC/MS
Wiley ID MMPW6e_4761