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Felodipine-M/artifact 2ET

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Felodipine-M/artifact 2ET
SpectraBase Compound ID 8w7jF9MFIfc
InChI InChI=1S/C21H21Cl2NO6/c1-5-28-19(25)14-11(4)24-18(21(27)30-7-3)16(20(26)29-6-2)15(14)12-9-8-10-13(22)17(12)23/h8-10H,5-7H2,1-4H3
InChIKey OGKUNRUCKSMXEZ-UHFFFAOYSA-N
Mol Weight 454.31 g/mol
Molecular Formula C21H21Cl2NO6
Exact Mass 453.074593 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AeI0bLNeB3H
Name Felodipine-m/artifact 2et P1586
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 453.074592794 u
Formula C21H21Cl2NO6
InChI InChI=1S/C21H21Cl2NO6/c1-5-28-19(25)14-11(4)24-18(21(27)30-7-3)16(20(26)29-6-2)15(14)12-9-8-10-13(22)17(12)23/h8-10H,5-7H2,1-4H3
InChIKey OGKUNRUCKSMXEZ-UHFFFAOYSA-N
Molecular Weight 454.306 g/mol
SMILES C=1(C(=C(C(=O)OCC)C(=NC1C(=O)OCC)C)C=1C(=C(Cl)C=CC1)Cl)C(=O)OCC