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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 BVFpDhgXKPI
Name Nifedipine artifact
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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
SMILES N1C(=C(C(c2ccccc2N(=O)=O)C(=C1C)C(OC)=O)C(OC)=O)C
SPLASH splash10-0002-1490000000-0590da6fc1a7ae573d57
Source of Spectrum Mass Spectrometry Committee of the Toxicology Section of the American Academy of Forensic Sciences