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Nilvadipine ME
SpectraBase Compound ID 5SZcvngbEAH
InChI InChI=1S/C20H21N3O6/c1-11(2)29-20(25)16-12(3)22(4)15(10-21)18(19(24)28-5)17(16)13-7-6-8-14(9-13)23(26)27/h6-9,11,17H,1-5H3
InChIKey PKQYZLDBPHEOLF-UHFFFAOYSA-N
Mol Weight 399.4 g/mol
Molecular Formula C20H21N3O6
Exact Mass 399.143035 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cRMnEGSqiM
Name Nilvadipine ME
Classification Ca Antagonist
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Exact Mass 399.143035402 u
Formula C20H21N3O6
InChI InChI=1S/C20H21N3O6/c1-11(2)29-20(25)16-12(3)22(4)15(10-21)18(19(24)28-5)17(16)13-7-6-8-14(9-13)23(26)27/h6-9,11,17H,1-5H3
InChIKey PKQYZLDBPHEOLF-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 399.403 g/mol
SMILES C1(=C(N(C)C(=C(C1c1cc(N(=O)=O)ccc1)C(=O)OC)C#N)C)C(OC(C)C)=O
SPLASH splash10-03dr-1398000000-c0cd0f6630e074b0793f
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.
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_4886