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1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl N-methyl-N'-[(E)-methyl]imidothiocarbamate
SpectraBase Compound ID K8XZAqqs710
InChI InChI=1S/C13H14IN3O2S/c1-15-13(16-2)20-10-7-11(18)17(12(10)19)9-5-3-8(14)4-6-9/h3-6,10H,7H2,1-2H3,(H,15,16)
InChIKey FOFJNAKKMSFVBN-UHFFFAOYSA-N
Mol Weight 403.24 g/mol
Molecular Formula C13H14IN3O2S
Exact Mass 402.985143 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CbNOOSOGcSZ
Name 1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl N-methyl-N'-[(E)-methyl]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/C13H14IN3O2S/c1-15-13(16-2)20-10-7-11(18)17(12(10)19)9-5-3-8(14)4-6-9/h3-6,10H,7H2,1-2H3,(H,15,16)
InChIKey FOFJNAKKMSFVBN-UHFFFAOYSA-N
NMR Offset 18.0412
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_402
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/8090858; Labnumber: PE-0002767; IOH_ID: IOH-000403
Synonyms 1-(4-iodophenyl)-2,5-dioxo-3-pyrrolidinyl N-methyl-N'-[methyl]imidothiocarbamate
Temperature 297 °C