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Metoclopramide, N4-pentafluoropropionyl-

View entire compound with spectra: 1 NMR

Metoclopramide, N4-pentafluoropropionyl-
SpectraBase Compound ID 2pO2KRCePU0
InChI InChI=1S/C17H21ClF5N3O3/c1-4-26(5-2)7-6-24-14(27)10-8-11(18)12(9-13(10)29-3)25-15(28)16(19,20)17(21,22)23/h8-9H,4-7H2,1-3H3,(H,24,27)(H,25,28)
InChIKey LOYSJNPSVUYSQK-UHFFFAOYSA-N
Mol Weight 445.82 g/mol
Molecular Formula C17H21ClF5N3O3
Exact Mass 445.11916 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BbesowYV2Fe
Name Metoclopramide, N4-pentafluoropropionyl-
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 445.119160060 u
Formula C17H21ClF5N3O3
InChI InChI=1S/C17H21ClF5N3O3/c1-4-26(5-2)7-6-24-14(27)10-8-11(18)12(9-13(10)29-3)25-15(28)16(19,20)17(21,22)23/h8-9H,4-7H2,1-3H3,(H,24,27)(H,25,28)
InChIKey LOYSJNPSVUYSQK-UHFFFAOYSA-N
Molecular Weight 445.818 g/mol
SMILES C1(OC)=C(C=C(C(=C1)NC(C(C(F)(F)F)(F)F)=O)Cl)C(NCCN(CC)CC)=O