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Nicardipine-M (deamino-HOOC-) ME
SpectraBase Compound ID DQETqWRQEYY
InChI InChI=1S/C19H20N2O8/c1-10-15(18(23)28-4)17(12-6-5-7-13(8-12)21(25)26)16(11(2)20-10)19(24)29-9-14(22)27-3/h5-8,17,20H,9H2,1-4H3
InChIKey XIXUCBSISABPEU-UHFFFAOYSA-N
Mol Weight 404.38 g/mol
Molecular Formula C19H20N2O8
Exact Mass 404.121966 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5neXbiJ9ABC
Name Nicardipine-m (deamino-hooc-) me P1459
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 404.121965604 u
Formula C19H20N2O8
InChI InChI=1S/C19H20N2O8/c1-10-15(18(23)28-4)17(12-6-5-7-13(8-12)21(25)26)16(11(2)20-10)19(24)29-9-14(22)27-3/h5-8,17,20H,9H2,1-4H3
InChIKey XIXUCBSISABPEU-UHFFFAOYSA-N
Molecular Weight 404.375 g/mol
SMILES C=1(C(C(C(=O)OC)=C(NC1C)C)C=1C=C(N(=O)=O)C=CC1)C(OCC(=O)OC)=O