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Quinapril-M/artifact 3ME            @
SpectraBase Compound ID GcK1Ec5o4qS
InChI InChI=1S/C26H32N2O5/c1-18(27(2)22(25(30)32-3)15-14-19-10-6-5-7-11-19)24(29)28-17-21-13-9-8-12-20(21)16-23(28)26(31)33-4/h5-13,18,22-23H,14-17H2,1-4H3
InChIKey JQDMJLSGNWHRJP-UHFFFAOYSA-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 57m36unxXU
Name Quinapril-M/artifact 3ME @
Classification Antihypertensive
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Exact Mass 452.231122133 u
Formula C26H32N2O5
InChI InChI=1S/C26H32N2O5/c1-18(27(2)22(25(30)32-3)15-14-19-10-6-5-7-11-19)24(29)28-17-21-13-9-8-12-20(21)16-23(28)26(31)33-4/h5-13,18,22-23H,14-17H2,1-4H3
InChIKey JQDMJLSGNWHRJP-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 452.551 g/mol
SMILES c1ccc(CCC(N(C(C(N2C(Cc3c(C2)cccc3)C(=O)OC)=O)C)C)C(=O)OC)cc1
SPLASH splash10-001i-5890000000-2215d15f61d91dcf21cb
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: UME
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Quinaprilate 3ME Quinapril-M/artifact (deethyl-) 3ME
Technique GC/MS
Wiley ID MMPW6e_4760