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Nifedipine
SpectraBase Compound ID LEQRALEiTZk
InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
InChIKey HYIMSNHJOBLJNT-UHFFFAOYSA-N
Mol Weight 346.34 g/mol
Molecular Formula C17H18N2O6
Exact Mass 346.116486 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EIF7oDN6BZr
Name Nifedipine @
CAS Registry Number 21829-25-4
Classification Ca Antagonist
Copyright Copyright © 2023-2025 Wiley-VCH GmbH. All Rights Reserved.
Exact Mass 346.116486302 u
Formula C17H18N2O6
InChI InChI=1S/C17H18N2O6/c1-9-13(16(20)24-3)15(14(10(2)18-9)17(21)25-4)11-7-5-6-8-12(11)19(22)23/h5-8,15,18H,1-4H3
InChIKey HYIMSNHJOBLJNT-UHFFFAOYSA-N
Ionization Type Electron Ionization (EI)
Molecular Weight 346.339 g/mol
SMILES c1cccc(c1C1C(=C(NC(=C1C(OC)=O)C)C)C(OC)=O)N(=O)=O
SPLASH splash10-00ai-1693000000-272fa25ece5609ce528b
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: G P UME
Source of Spectrum H.H.Maurer, M.Meyer, K.Pfleger, A.A. Weber / University of Saarland, D-66424 Homburg Germany
Synonyms Nisoldipine-M/artifact (deisobutyl-) ME
Technique GC/MS
Wiley ID MMPW6e_2485