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Nimodipine-M ME
SpectraBase Compound ID JrhdOW1XnAA
InChI InChI=1S/C21H22N2O8/c1-11(2)31-21(26)18-13(4)22-12(3)17(20(25)30-10-16(24)29-5)19(18)14-7-6-8-15(9-14)23(27)28/h6-9,11H,10H2,1-5H3
InChIKey SCUOYMKMKKZKNX-UHFFFAOYSA-N
Mol Weight 430.41 g/mol
Molecular Formula C21H22N2O8
Exact Mass 430.137616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8JHuEUFsQMr
Name Nimodipine-M ME
Classification Ca Antagonist
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Exact Mass 430.137615668 u
Formula C21H22N2O8
InChI InChI=1S/C21H22N2O8/c1-11(2)31-21(26)18-13(4)22-12(3)17(20(25)30-10-16(24)29-5)19(18)14-7-6-8-15(9-14)23(27)28/h6-9,11H,10H2,1-5H3
InChIKey SCUOYMKMKKZKNX-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 430.413 g/mol
SMILES c1(c(c(C(OCC(=O)OC)=O)c(nc1C)C)-c1cc(N(=O)=O)ccc1)C(OC(C)C)=O
SPLASH splash10-000w-0393000000-f30c5d6bb0270156df99
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 Nimodipine-M (dehydro-O-demethyl-HOOC-) ME
Technique GC/MS
Wiley ID MMPW6e_4891