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3-(methylthio)-4-oxo-4,5,6,7-tetrahydrobenzo[c]thiophene-1-carbonitrile, O-acetyloxime
SpectraBase Compound ID 1IKmdU67SLI
InChI InChI=1S/C12H12N2O2S2/c1-7(15)16-14-9-5-3-4-8-10(6-13)18-12(17-2)11(8)9/h3-5H2,1-2H3/b14-9-
InChIKey KGQLGVAHAYYCAW-ZROIWOOFSA-N
Mol Weight 280.36 g/mol
Molecular Formula C12H12N2O2S2
Exact Mass 280.03402 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5nw7zKzFseO
Name 3-(METHYLTHIO)-4-OXO-4,5,6,7-TETRAHYDROBENZO[c]THIOPHENE-1-CARBONITRILE, O-ACETYLOXIME
Source of Sample Maybridge Chemical Company Ltd., North Cornwall, England
Copyright Copyright © 1980, 1981-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12N2O2S2
InChI InChI=1S/C12H12N2O2S2/c1-7(15)16-14-9-5-3-4-8-10(6-13)18-12(17-2)11(8)9/h3-5H2,1-2H3/b14-9-
InChIKey KGQLGVAHAYYCAW-ZROIWOOFSA-N
Molecular Weight 280.37
Solvent Chloroform-d; Reference=TMS Spectrometer= Bruker AC-300
Synonyms BENZO/C/THIOPHENE-1-CARBONITRILE, 3-/METHYLTHIO/-4-OXO-4,5,6,7-TETRAHYDRO-, O-ACETYLOXIME