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Nifedipine-M -H2O                   @
SpectraBase Compound ID 7BqT0z6PAo4
InChI InChI=1S/C16H12N2O6/c1-8-12(15(19)23-2)13(14-10(17-8)7-24-16(14)20)9-5-3-4-6-11(9)18(21)22/h3-6H,7H2,1-2H3
InChIKey NZHFIISQXLFKEF-UHFFFAOYSA-N
Mol Weight 328.28 g/mol
Molecular Formula C16H12N2O6
Exact Mass 328.069536 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5CpChZx7lA
Name Nifedipine-M -H2O @
Classification Ca Antagonist
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Exact Mass 328.069536108 u
Formula C16H12N2O6
InChI InChI=1S/C16H12N2O6/c1-8-12(15(19)23-2)13(14-10(17-8)7-24-16(14)20)9-5-3-4-6-11(9)18(21)22/h3-6H,7H2,1-2H3
InChIKey NZHFIISQXLFKEF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 328.280 g/mol
SMILES c1cccc(c1-c1c(c(nc2c1C(OC2)=O)C)C(OC)=O)N(=O)=O
SPLASH splash10-001i-2790000000-5a081f973566e7812162
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: P U+UHYAC 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-demethyl-HO-) -H2O Nisoldipine-M (dehydro-deisobutyl-HO-) -H2O
Technique GC/MS
Wiley ID MMPW6e_2489