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

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carbamimidothioic acid, N'-[(Z)-heptyl]-N-(4-methoxyphenyl)-, 1-[4-(chlorodifluoromethoxy)phenyl]-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID 9rWlDc3IDUH
InChI InChI=1S/C26H30ClF2N3O4S/c1-3-4-5-6-7-16-30-25(31-18-8-12-20(35-2)13-9-18)37-22-17-23(33)32(24(22)34)19-10-14-21(15-11-19)36-26(27,28)29/h8-15,22H,3-7,16-17H2,1-2H3,(H,30,31)
InChIKey SVDFXGYCKITSEW-UHFFFAOYSA-N
Mol Weight 554.05 g/mol
Molecular Formula C26H30ClF2N3O4S
Exact Mass 553.161362 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DbJu7nWfUnn
Name carbamimidothioic acid, N'-[(Z)-heptyl]-N-(4-methoxyphenyl)-, 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 553.161361654 u
Formula C26H30ClF2N3O4S
InChI InChI=1S/C26H30ClF2N3O4S/c1-3-4-5-6-7-16-30-25(31-18-8-12-20(35-2)13-9-18)37-22-17-23(33)32(24(22)34)19-10-14-21(15-11-19)36-26(27,28)29/h8-15,22H,3-7,16-17H2,1-2H3,(H,30,31)
InChIKey SVDFXGYCKITSEW-UHFFFAOYSA-N
Molecular Weight 554.053 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4441
Solvent DMSO-d6
Source Vendor ID: NMR/9296113; Lab Info: PE; Lab Number: PE/9042450