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Benazepril-M/artifact iso-2 2ET     @
SpectraBase Compound ID KvLLwXShPhQ
InChI InChI=1S/C28H36N2O6/c1-4-34-22-12-9-10-20(18-22)14-16-24(28(33)36-6-3)29-23-17-15-21-11-7-8-13-25(21)30(27(23)32)19-26(31)35-5-2/h7-13,18,23-24,29H,4-6,14-17,19H2,1-3H3
InChIKey ALPZOJNCXCEDJB-UHFFFAOYSA-N
Mol Weight 496.6 g/mol
Molecular Formula C28H36N2O6
Exact Mass 496.257337 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JE1RT8uCXQv
Name Benazepril-M/artifact iso-2 2ET @
Classification Antihypertensive
Comments Structure comment: Wiggly bond = unknown position of substituent
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Exact Mass 496.257336881 u
Formula C28H36N2O6
InChI InChI=1S/C28H36N2O6/c1-4-34-22-12-9-10-20(18-22)14-16-24(28(33)36-6-3)29-23-17-15-21-11-7-8-13-25(21)30(27(23)32)19-26(31)35-5-2/h7-13,18,23-24,29H,4-6,14-17,19H2,1-3H3
InChIKey ALPZOJNCXCEDJB-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 496.604 g/mol
SMILES c1ccc2N(C(C(NC(C(=O)OCC)CCc3cc(OCC)ccc3)CCc2c1)=O)CC(=O)OCC
SPLASH splash10-00y0-2931300000-444aae6f8a7d4962fac4
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: UET
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Benazeprilate-M (HO-) isomer-2 2ET Benazepril-M (HO-) isomer-2 2ET Benazepril-M/artifact (deethyl-HO-) isomer-2 3ET
Technique GC/MS
Wiley ID MMPW6e_4726