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

*Links on SpectraBase are not permalinks.

carbamimidothioic acid, N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-methyl]-, 1-(3,5-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl ester

View entire compound with spectra: 2 NMR

carbamimidothioic acid, N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-methyl]-, 1-(3,5-dichlorophenyl)-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID D51pUqPMsir
InChI InChI=1S/C19H13Cl3F3N3O2S/c1-26-18(27-11-2-3-14(22)13(7-11)19(23,24)25)31-15-8-16(29)28(17(15)30)12-5-9(20)4-10(21)6-12/h2-7,15H,8H2,1H3,(H,26,27)
InChIKey IECQBKJOQHKDIF-UHFFFAOYSA-N
Mol Weight 510.75 g/mol
Molecular Formula C19H13Cl3F3N3O2S
Exact Mass 508.974615 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 6pDW6NfjCNk
Name carbamimidothioic acid, N-[4-chloro-3-(trifluoromethyl)phenyl]-N'-[(Z)-methyl]-, 1-(3,5-dichlorophenyl)-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 508.974615432 u
Formula C19H13Cl3F3N3O2S
InChI InChI=1S/C19H13Cl3F3N3O2S/c1-26-18(27-11-2-3-14(22)13(7-11)19(23,24)25)31-15-8-16(29)28(17(15)30)12-5-9(20)4-10(21)6-12/h2-7,15H,8H2,1H3,(H,26,27)
InChIKey IECQBKJOQHKDIF-UHFFFAOYSA-N
Molecular Weight 510.746 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_2222
Solvent DMSO-d6
Source Vendor ID: NMR/9221048; Lab Info: L-04; Lab Number: L-04,Polunin