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Nicardipine-M (deamino-HOOC-) 2ME
SpectraBase Compound ID JGf5AXsYE2j
InChI InChI=1S/C20H22N2O8/c1-11-16(19(24)29-5)18(13-7-6-8-14(9-13)22(26)27)17(12(2)21(11)3)20(25)30-10-15(23)28-4/h6-9,18H,10H2,1-5H3
InChIKey YQRSRFFNWGYKJW-UHFFFAOYSA-N
Mol Weight 418.4 g/mol
Molecular Formula C20H22N2O8
Exact Mass 418.137616 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7b6PNFseB32
Name Nicardipine-M (deamino-HOOC-) 2ME
Classification Ca Antagonist
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Exact Mass 418.137615668 u
Formula C20H22N2O8
InChI InChI=1S/C20H22N2O8/c1-11-16(19(24)29-5)18(13-7-6-8-14(9-13)22(26)27)17(12(2)21(11)3)20(25)30-10-15(23)28-4/h6-9,18H,10H2,1-5H3
InChIKey YQRSRFFNWGYKJW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 418.402 g/mol
SMILES C1(=C(N(C(C)=C(C1c1cc(N(=O)=O)ccc1)C(=O)OC)C)C)C(OCC(=O)OC)=O
SPLASH splash10-0zfs-1289100000-5a9aab635e8a92a98864
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
Technique GC/MS
Wiley ID MMPW6e_4880