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carbamimidothioic acid, N-[4-(chlorodifluoromethoxy)phenyl]-N'-[(Z)-methyl]-, 1-(2-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID 5C4zqiCs5vs
InChI InChI=1S/C19H15Cl2F2N3O3S/c1-24-18(25-11-6-8-12(9-7-11)29-19(21,22)23)30-15-10-16(27)26(17(15)28)14-5-3-2-4-13(14)20/h2-9,15H,10H2,1H3,(H,24,25)
InChIKey YKJIPIIKACNVIC-UHFFFAOYSA-N
Mol Weight 474.31 g/mol
Molecular Formula C19H15Cl2F2N3O3S
Exact Mass 473.017924 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EhmI6IBmo4g
Name carbamimidothioic acid, N-[4-(chlorodifluoromethoxy)phenyl]-N'-[(Z)-methyl]-, 1-(2-chlorophenyl)-2,5-dioxo-3-pyrrolidinyl ester
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 473.017924252 u
Formula C19H15Cl2F2N3O3S
InChI InChI=1S/C19H15Cl2F2N3O3S/c1-24-18(25-11-6-8-12(9-7-11)29-19(21,22)23)30-15-10-16(27)26(17(15)28)14-5-3-2-4-13(14)20/h2-9,15H,10H2,1H3,(H,24,25)
InChIKey YKJIPIIKACNVIC-UHFFFAOYSA-N
Molecular Weight 474.310 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4438
Solvent DMSO-d6
Source Vendor ID: NMR/9296028; Lab Info: PE; Lab Number: PE/9040969