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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

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SpectraBase Spectrum ID 2V2EcERlZ0s
Name benzoic acid, 4-[3-[[(E)-(1,3-benzodioxol-5-ylamino)[(E)-methylimino]methyl]thio]-2,5-dioxo-1-pyrrolidinyl]-, methyl 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 441.099456512 u
Formula C21H19N3O6S
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
Molecular Weight 441.458 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_964
Solvent DMSO-d6
Source Vendor ID: ZI/8092711; Lab Info: PE; Lab Number: PE-0002841