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Nifedipine-M (dehydro-HO-HOOC-)
SpectraBase Compound ID 4Tor1Chkyc0
InChI InChI=1S/C16H14N2O7/c1-8-12(16(22)25-2)13(14(15(20)21)10(7-19)17-8)9-5-3-4-6-11(9)18(23)24/h3-6,19H,7H2,1-2H3,(H,20,21)
InChIKey ARDQNVJJIRIJPD-UHFFFAOYSA-N
Mol Weight 346.3 g/mol
Molecular Formula C16H14N2O7
Exact Mass 346.080101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2qY7BpHH9N3
Name Nifedipine-M (dehydro-HO-HOOC-)
Classification Ca Antagonist
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Exact Mass 346.080100792 u
Formula C16H14N2O7
InChI InChI=1S/C16H14N2O7/c1-8-12(16(22)25-2)13(14(15(20)21)10(7-19)17-8)9-5-3-4-6-11(9)18(23)24/h3-6,19H,7H2,1-2H3,(H,20,21)
InChIKey ARDQNVJJIRIJPD-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 346.295 g/mol
SMILES c1cccc(c1-c1c(C(O)=O)c(nc(c1C(=O)OC)C)CO)N(=O)=O
SPLASH splash10-0f89-4590000000-fcc7bbe2fb7a284bab34
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: U UHY
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_2490