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BMASHZVPBMOCBP-UHFFFAOYSA-N
SpectraBase Compound ID 3X1Tpq3zbS2
InChI InChI=1S/C12H5NO2S/c13-6-8-5-7-1-2-10-9(3-4-16-10)11(7)15-12(8)14/h1-5H
InChIKey BMASHZVPBMOCBP-UHFFFAOYSA-N
Mol Weight 227.24 g/mol
Molecular Formula C12H5NO2S
Exact Mass 227.0041 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 3tdBAxOOwUM
Name 2-OXO-2H-THIENO-[2,3-H]-[1]-BENZOPYRAN-3-NITRILE
Compound Number 1
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H5NO2S
InChI InChI=1S/C12H5NO2S/c13-6-8-5-7-1-2-10-9(3-4-16-10)11(7)15-12(8)14/h1-5H
InChIKey BMASHZVPBMOCBP-UHFFFAOYSA-N
Literature Reference Author N.M.D.BROWN,A.DE,J.S.A.BRUNSKILL,H.JEFFREY
Literature Reference Citation ORG.MAGN.RES.,18,211(1982)
Literature Reference DOI 10.1002/mrc.1270180408
Molecular Weight 227.237 g/mol
Solvent DMSO-D6
Source File Reference UWCS10952