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2-[2-(benzylsulfanyl)-3,3-dichloro-1-nitro-2-propenylidene]-1,3-dithiolane
SpectraBase Compound ID 8HhEEWaoaLP
InChI InChI=1S/C13H11Cl2NO2S3/c14-12(15)11(21-8-9-4-2-1-3-5-9)10(16(17)18)13-19-6-7-20-13/h1-5H,6-8H2
InChIKey YQAWXJJXHAXEEE-UHFFFAOYSA-N
Mol Weight 380.32 g/mol
Molecular Formula C13H11Cl2NO2S3
Exact Mass 378.932898 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 2HxJ82lULIH
Name 2-[2-(benzylsulfanyl)-3,3-dichloro-1-nitro-2-propenylidene]-1,3-dithiolane
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 378.932897518 u
Formula C13H11Cl2NO2S3
InChI InChI=1S/C13H11Cl2NO2S3/c14-12(15)11(21-8-9-4-2-1-3-5-9)10(16(17)18)13-19-6-7-20-13/h1-5H,6-8H2
InChIKey YQAWXJJXHAXEEE-UHFFFAOYSA-N
Molecular Weight 380.322 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_4160
Solvent DMSO-d6
Source Vendor ID: NMR/12308817