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Nifedipine-M (dehydro-HOOC-) ME     @
SpectraBase Compound ID 8z4ipCnI2cU
InChI InChI=1S/C18H16N2O8/c1-9-12(16(21)26-2)13(10-7-5-6-8-11(10)20(24)25)14(17(22)27-3)15(19-9)18(23)28-4/h5-8H,1-4H3
InChIKey RVORVWKPTSHPSE-UHFFFAOYSA-N
Mol Weight 388.33 g/mol
Molecular Formula C18H16N2O8
Exact Mass 388.090665 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HOkb5h7uplU
Name Nifedipine-M (dehydro-HOOC-) ME @
Classification Ca Antagonist
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Exact Mass 388.090665475 u
Formula C18H16N2O8
InChI InChI=1S/C18H16N2O8/c1-9-12(16(21)26-2)13(10-7-5-6-8-11(10)20(24)25)14(17(22)27-3)15(19-9)18(23)28-4/h5-8H,1-4H3
InChIKey RVORVWKPTSHPSE-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 388.332 g/mol
SMILES c1cccc(c1-c1c(c(nc(c1C(OC)=O)C)C(=O)OC)C(OC)=O)N(=O)=O
SPLASH splash10-0006-0229000000-c775da04c052392df465
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 Nifedipine-M (dehydro-2-HOOC-) ME Nisoldipine-M (dehydro-deisobutyl-2-HOOC-) 2ME
Technique GC/MS
Wiley ID MMPW6e_4877