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carbamimidothioic acid, N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]-, 2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl ester

View entire compound with spectra: 1 NMR

carbamimidothioic acid, N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]-, 2,5-dioxo-1-(4-propoxyphenyl)-3-pyrrolidinyl ester
SpectraBase Compound ID 3bRxHFfo5Wx
InChI InChI=1S/C31H32F3N3O5S/c1-4-16-42-24-11-9-23(10-12-24)37-28(38)19-27(29(37)39)43-30(36-22-7-5-6-21(18-22)31(32,33)34)35-15-14-20-8-13-25(40-2)26(17-20)41-3/h5-13,17-18,27H,4,14-16,19H2,1-3H3,(H,35,36)
InChIKey HBGFKUOBTDEASS-UHFFFAOYSA-N
Mol Weight 615.7 g/mol
Molecular Formula C31H32F3N3O5S
Exact Mass 615.201477 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID DlR88rRn18F
Name carbamimidothioic acid, N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[3-(trifluoromethyl)phenyl]-, 2,5-dioxo-1-(4-propoxyphenyl)-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 615.201476800 u
Formula C31H32F3N3O5S
InChI InChI=1S/C31H32F3N3O5S/c1-4-16-42-24-11-9-23(10-12-24)37-28(38)19-27(29(37)39)43-30(36-22-7-5-6-21(18-22)31(32,33)34)35-15-14-20-8-13-25(40-2)26(17-20)41-3/h5-13,17-18,27H,4,14-16,19H2,1-3H3,(H,35,36)
InChIKey HBGFKUOBTDEASS-UHFFFAOYSA-N
Molecular Weight 615.668 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1389
Solvent DMSO-d6
Source Vendor ID: ZI/8170077; Lab Info: PE; Lab Number: PE-0005193