For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

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

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

carbamimidothioic acid, N'-[(E)-2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-, 1-(2-fluorophenyl)-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID IwTVsXQ7VEa
InChI InChI=1S/C23H26FN3O4S/c1-4-25-23(26-12-11-15-9-10-18(30-2)19(13-15)31-3)32-20-14-21(28)27(22(20)29)17-8-6-5-7-16(17)24/h5-10,13,20H,4,11-12,14H2,1-3H3,(H,25,26)
InChIKey CCWAZUDJXXWRCT-UHFFFAOYSA-N
Mol Weight 459.54 g/mol
Molecular Formula C23H26FN3O4S
Exact Mass 459.162806 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FShrswctRqf
Name carbamimidothioic acid, N'-[(E)-2-(3,4-dimethoxyphenyl)ethyl]-N-ethyl-, 1-(2-fluorophenyl)-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 459.162805662 u
Formula C23H26FN3O4S
InChI InChI=1S/C23H26FN3O4S/c1-4-25-23(26-12-11-15-9-10-18(30-2)19(13-15)31-3)32-20-14-21(28)27(22(20)29)17-8-6-5-7-16(17)24/h5-10,13,20H,4,11-12,14H2,1-3H3,(H,25,26)
InChIKey CCWAZUDJXXWRCT-UHFFFAOYSA-N
Molecular Weight 459.536 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1249
Solvent DMSO-d6
Source Vendor ID: ZI/8090973; Lab Info: PE; Lab Number: PE-0004452