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2-[(3,4-dichlorobenzyl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole 5,5-dioxide

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2-[(3,4-dichlorobenzyl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole 5,5-dioxide
SpectraBase Compound ID 9HOljmAvsK2
InChI InChI=1S/C20H18Cl2N2O4S2/c21-14-3-1-12(7-15(14)22)9-29-20-23-16-10-30(25,26)11-17(16)24(20)13-2-4-18-19(8-13)28-6-5-27-18/h1-4,7-8,16-17H,5-6,9-11H2
InChIKey HRVZNPMOJFCHGH-UHFFFAOYSA-N
Mol Weight 485.4 g/mol
Molecular Formula C20H18Cl2N2O4S2
Exact Mass 484.008505 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1dRgB23ehIY
Name 2-[(3,4-dichlorobenzyl)sulfanyl]-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole 5,5-dioxide
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/C20H18Cl2N2O4S2/c21-14-3-1-12(7-15(14)22)9-29-20-23-16-10-30(25,26)11-17(16)24(20)13-2-4-18-19(8-13)28-6-5-27-18/h1-4,7-8,16-17H,5-6,9-11H2
InChIKey HRVZNPMOJFCHGH-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35930
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: E97858; SBI_ID: SBI-035934
Synonyms 3,4-dichlorobenzyl 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5,5-dioxido-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl sulfide
Temperature 308 °C