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carbamimidothioic acid, N'-[(Z)-ethyl]-N-(4-iodophenyl)-, 1-[4-(chlorodifluoromethoxy)phenyl]-2,5-dioxo-3-pyrrolidinyl ester

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

carbamimidothioic acid, N'-[(Z)-ethyl]-N-(4-iodophenyl)-, 1-[4-(chlorodifluoromethoxy)phenyl]-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID 2l9iPI763Yj
InChI InChI=1S/C20H17ClF2IN3O3S/c1-2-25-19(26-13-5-3-12(24)4-6-13)31-16-11-17(28)27(18(16)29)14-7-9-15(10-8-14)30-20(21,22)23/h3-10,16H,2,11H2,1H3,(H,25,26)
InChIKey WPFSXMZNRBBXEA-UHFFFAOYSA-N
Mol Weight 579.79 g/mol
Molecular Formula C20H17ClF2IN3O3S
Exact Mass 578.969192 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2jAHXJ0xfgi
Name carbamimidothioic acid, N'-[(Z)-ethyl]-N-(4-iodophenyl)-, 1-[4-(chlorodifluoromethoxy)phenyl]-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 578.969191616 u
Formula C20H17ClF2IN3O3S
InChI InChI=1S/C20H17ClF2IN3O3S/c1-2-25-19(26-13-5-3-12(24)4-6-13)31-16-11-17(28)27(18(16)29)14-7-9-15(10-8-14)30-20(21,22)23/h3-10,16H,2,11H2,1H3,(H,25,26)
InChIKey WPFSXMZNRBBXEA-UHFFFAOYSA-N
Molecular Weight 579.788 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4442
Solvent DMSO-d6
Source Vendor ID: NMR/9296342; Lab Info: PE; Lab Number: PE/9044717