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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 Hv5KwtvRXSV
Name 3-Cyano-2H-thieno(2,3-H)(1)-benzopyran-2-one
CAS Registry Number 73709-07-6
Comments reassigned
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. 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
Instrument Name Jeol FX-90
Literature Reference N.M. Brown, A. De, J.S. Brunskill, Org. Magn. Resonance 18, 211 (1982).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6