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

*Links on SpectraBase are not permalinks.

carbamimidothioic acid, N'-[(E)-1,3-benzodioxol-5-ylmethyl]-N-(4-ethoxyphenyl)-, 1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl ester

View entire compound with spectra: 2 NMR

carbamimidothioic acid, N'-[(E)-1,3-benzodioxol-5-ylmethyl]-N-(4-ethoxyphenyl)-, 1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl ester
SpectraBase Compound ID KbCxe52uu4l
InChI InChI=1S/C29H29N3O6S/c1-3-35-22-10-6-20(7-11-22)31-29(30-17-19-5-14-24-25(15-19)38-18-37-24)39-26-16-27(33)32(28(26)34)21-8-12-23(13-9-21)36-4-2/h5-15,26H,3-4,16-18H2,1-2H3,(H,30,31)
InChIKey MYVJHZSNQHDWSO-UHFFFAOYSA-N
Mol Weight 547.63 g/mol
Molecular Formula C29H29N3O6S
Exact Mass 547.177707 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 69UUuqZWybG
Name 1-(4-ethoxyphenyl)-2,5-dioxo-3-pyrrolidinyl N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-ethoxyphenyl)imidothiocarbamate
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C29H29N3O6S/c1-3-35-22-10-6-20(7-11-22)31-29(30-17-19-5-14-24-25(15-19)38-18-37-24)39-26-16-27(33)32(28(26)34)21-8-12-23(13-9-21)36-4-2/h5-15,26H,3-4,16-18H2,1-2H3,(H,30,31)
InChIKey MYVJHZSNQHDWSO-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_674
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: ZI/8173197; Labnumber: PE-0005268