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Nicardipine ME
SpectraBase Compound ID 6SxF9rTUN7y
InChI InChI=1S/C27H31N3O6/c1-18-23(26(31)35-5)25(21-12-9-13-22(16-21)30(33)34)24(19(2)29(18)4)27(32)36-15-14-28(3)17-20-10-7-6-8-11-20/h6-13,16,25H,14-15,17H2,1-5H3
InChIKey AUTWMSBCXHVEKW-UHFFFAOYSA-N
Mol Weight 493.56 g/mol
Molecular Formula C27H31N3O6
Exact Mass 493.221286 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ik3YNPYHo
Name Nicardipine ME
Classification Ca Antagonist
Copyright Copyright © 2023-2024 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 493.221285724 u
Formula C27H31N3O6
InChI InChI=1S/C27H31N3O6/c1-18-23(26(31)35-5)25(21-12-9-13-22(16-21)30(33)34)24(19(2)29(18)4)27(32)36-15-14-28(3)17-20-10-7-6-8-11-20/h6-13,16,25H,14-15,17H2,1-5H3
InChIKey AUTWMSBCXHVEKW-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 493.560 g/mol
SMILES C1(=C(N(C)C(=C(C1c1cc(N(=O)=O)ccc1)C(=O)OC)C)C)C(=O)OCCN(Cc1ccccc1)C
SPLASH splash10-0007-6931000000-6e11dfae79b52a56ef03
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_4878