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acetamide, N-[4-(chlorodifluoromethoxy)phenyl]-2-[(5-cyano-1,6-dihydro-6-oxo-4-phenyl-2-pyrimidinyl)thio]-
SpectraBase Compound ID DiUbQe03fhX
InChI InChI=1S/C20H13ClF2N4O3S/c21-20(22,23)30-14-8-6-13(7-9-14)25-16(28)11-31-19-26-17(12-4-2-1-3-5-12)15(10-24)18(29)27-19/h1-9H,11H2,(H,25,28)(H,26,27,29)
InChIKey IBPXVEMHXHTNOE-UHFFFAOYSA-N
Mol Weight 462.86 g/mol
Molecular Formula C20H13ClF2N4O3S
Exact Mass 462.036495 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID K4rc6e59K8I
Name acetamide, N-[4-(chlorodifluoromethoxy)phenyl]-2-[(5-cyano-1,6-dihydro-6-oxo-4-phenyl-2-pyrimidinyl)thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 462.036495492 u
Formula C20H13ClF2N4O3S
InChI InChI=1S/C20H13ClF2N4O3S/c21-20(22,23)30-14-8-6-13(7-9-14)25-16(28)11-31-19-26-17(12-4-2-1-3-5-12)15(10-24)18(29)27-19/h1-9H,11H2,(H,25,28)(H,26,27,29)
InChIKey IBPXVEMHXHTNOE-UHFFFAOYSA-N
Molecular Weight 462.859 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17770
Solvent DMSO-d6
Source Vendor ID: NMR/11210058; Lab Info: SAD; Lab Number: 73