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

*Links on SpectraBase are not permalinks.

carbamimidothioic acid, N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-, 1-(2,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl ester

View entire compound with spectra: 1 NMR

carbamimidothioic acid, N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-, 1-(2,4-dimethylphenyl)-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID Hb6xOrehMzm
InChI InChI=1S/C27H26ClN3O3S/c1-17-4-13-23(18(2)14-17)31-25(32)15-24(26(31)33)35-27(30-21-9-7-20(28)8-10-21)29-16-19-5-11-22(34-3)12-6-19/h4-14,24H,15-16H2,1-3H3,(H,29,30)
InChIKey SSRGIUKVBAKBKW-UHFFFAOYSA-N
Mol Weight 508.04 g/mol
Molecular Formula C27H26ClN3O3S
Exact Mass 507.138341 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 85ncAXWpjk0
Name carbamimidothioic acid, N'-(4-chlorophenyl)-N-[(4-methoxyphenyl)methyl]-, 1-(2,4-dimethylphenyl)-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 507.138340580 u
Formula C27H26ClN3O3S
InChI InChI=1S/C27H26ClN3O3S/c1-17-4-13-23(18(2)14-17)31-25(32)15-24(26(31)33)35-27(30-21-9-7-20(28)8-10-21)29-16-19-5-11-22(34-3)12-6-19/h4-14,24H,15-16H2,1-3H3,(H,29,30)
InChIKey SSRGIUKVBAKBKW-UHFFFAOYSA-N
Molecular Weight 508.036 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_1388
Solvent DMSO-d6
Source Vendor ID: ZI/8163727; Lab Info: PE; Lab Number: PE-0005092