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1-(1,3-benzodioxol-5-yl)-5,5-dioxido-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl 4-nitrobenzyl sulfide
SpectraBase Compound ID 8bFkEcaS1kt
InChI InChI=1S/C19H17N3O6S2/c23-22(24)13-3-1-12(2-4-13)8-29-19-20-15-9-30(25,26)10-16(15)21(19)14-5-6-17-18(7-14)28-11-27-17/h1-7,15-16H,8-11H2
InChIKey PGFSQBXYKFQZHM-UHFFFAOYSA-N
Mol Weight 447.48 g/mol
Molecular Formula C19H17N3O6S2
Exact Mass 447.055878 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID CttXgeg4n0h
Name 1-(1,3-benzodioxol-5-yl)-5,5-dioxido-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl 4-nitrobenzyl sulfide
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/C19H17N3O6S2/c23-22(24)13-3-1-12(2-4-13)8-29-19-20-15-9-30(25,26)10-16(15)21(19)14-5-6-17-18(7-14)28-11-27-17/h1-7,15-16H,8-11H2
InChIKey PGFSQBXYKFQZHM-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35929
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: E97857; SBI_ID: SBI-035933
Synonyms 1-(1,3-benzodioxol-5-yl)-2-[(4-nitrobenzyl)sulfanyl]-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazole 5,5-dioxide
Temperature 308 °C