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1-{[1-(1,3-benzodioxol-5-yl)-5,5-dioxido-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]sulfanyl}acetone
SpectraBase Compound ID 20hGHW4FvZq
InChI InChI=1S/C15H16N2O5S2/c1-9(18)5-23-15-16-11-6-24(19,20)7-12(11)17(15)10-2-3-13-14(4-10)22-8-21-13/h2-4,11-12H,5-8H2,1H3
InChIKey BYQNBLHTRQXNBC-UHFFFAOYSA-N
Mol Weight 368.42 g/mol
Molecular Formula C15H16N2O5S2
Exact Mass 368.050064 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID G2aC3GQOL9C
Name 1-{[1-(1,3-benzodioxol-5-yl)-5,5-dioxido-3a,4,6,6a-tetrahydro-1H-thieno[3,4-d]imidazol-2-yl]sulfanyl}acetone
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/C15H16N2O5S2/c1-9(18)5-23-15-16-11-6-24(19,20)7-12(11)17(15)10-2-3-13-14(4-10)22-8-21-13/h2-4,11-12H,5-8H2,1H3
InChIKey BYQNBLHTRQXNBC-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_35926
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: E97852; SBI_ID: SBI-035930
Temperature 308 °C