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

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carbamimidothioic acid, N'-[(Z)-1,3-benzodioxol-5-ylmethyl]-N-phenyl-,1-[4-(chlorodifluoromethoxy)phenyl]-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID L2SZSu0BZPI
InChI InChI=1S/C26H20ClF2N3O5S/c27-26(28,29)37-19-9-7-18(8-10-19)32-23(33)13-22(24(32)34)38-25(31-17-4-2-1-3-5-17)30-14-16-6-11-20-21(12-16)36-15-35-20/h1-12,22H,13-15H2,(H,30,31)
InChIKey WHQZDHACDZYYDL-UHFFFAOYSA-N
Mol Weight 559.97 g/mol
Molecular Formula C26H20ClF2N3O5S
Exact Mass 559.078026 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BdwxDMbOWHQ
Name carbamimidothioic acid, N'-[(Z)-1,3-benzodioxol-5-ylmethyl]-N-phenyl-,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 559.078025951 u
Formula C26H20ClF2N3O5S
InChI InChI=1S/C26H20ClF2N3O5S/c27-26(28,29)37-19-9-7-18(8-10-19)32-23(33)13-22(24(32)34)38-25(31-17-4-2-1-3-5-17)30-14-16-6-11-20-21(12-16)36-15-35-20/h1-12,22H,13-15H2,(H,30,31)
InChIKey WHQZDHACDZYYDL-UHFFFAOYSA-N
Molecular Weight 559.972 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4293
Solvent DMSO-d6
Source Vendor ID: NMR/9296179; Lab Info: PE; Lab Number: PE/9043369