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2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one semicarbazone
SpectraBase Compound ID Dz1hJVaEdot
InChI InChI=1S/C7H7N3OS5/c8-6(11)10-9-3-1-13-4-5(14-2-3)16-7(12)15-4/h1-2H2,(H3,8,10,11)
InChIKey HDOBFASMSMJXNR-UHFFFAOYSA-N
Mol Weight 309.5 g/mol
Molecular Formula C7H7N3OS5
Exact Mass 308.919268 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Fy8Bq9wclDN
Name 2-thioxo-5H-[1,3]dithiolo[4,5-b][1,4]dithiepin-6(7H)-one semicarbazone
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/C7H7N3OS5/c8-6(11)10-9-3-1-13-4-5(14-2-3)16-7(12)15-4/h1-2H2,(H3,8,10,11)
InChIKey HDOBFASMSMJXNR-UHFFFAOYSA-N
NMR Offset 15.0036
NMR Spectrometer Frequency 250.134
Observed nucleus 1H
Origin 1H_ASIOH_7000_692
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/7115222; Labnumber: KH-0000311; IOH_ID: IOH-000693
Temperature 297 °C