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

*Links on SpectraBase are not permalinks.

benzoic acid, 4-[3-[[(E)-(1,3-benzodioxol-5-ylamino)[(E)-methylimino]methyl]thio]-2,5-dioxo-1-pyrrolidinyl]-, methyl ester

View entire compound with spectra: 2 NMR

benzoic acid, 4-[3-[[(E)-(1,3-benzodioxol-5-ylamino)[(E)-methylimino]methyl]thio]-2,5-dioxo-1-pyrrolidinyl]-, methyl ester
SpectraBase Compound ID 5CLuGEDfEkj
InChI InChI=1S/C21H19N3O6S/c1-22-21(23-13-5-8-15-16(9-13)30-11-29-15)31-17-10-18(25)24(19(17)26)14-6-3-12(4-7-14)20(27)28-2/h3-9,17H,10-11H2,1-2H3,(H,22,23)
InChIKey HDOWSSNVHWCLKJ-UHFFFAOYSA-N
Mol Weight 441.46 g/mol
Molecular Formula C21H19N3O6S
Exact Mass 441.099457 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 9nXKY41IZ7B
Name methyl 4-(3-{[(E)-(1,3-benzodioxol-5-ylimino)(methylamino)methyl]sulfanyl}-2,5-dioxo-1-pyrrolidinyl)benzoate
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/C21H19N3O6S/c1-22-21(23-13-5-8-15-16(9-13)30-11-29-15)31-17-10-18(25)24(19(17)26)14-6-3-12(4-7-14)20(27)28-2/h3-9,17H,10-11H2,1-2H3,(H,22,23)
InChIKey HDOWSSNVHWCLKJ-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_ASIOH_7529_207
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/8092711; Labnumber: PE-0002841