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ICMWFQOXOVOFNS-UHFFFAOYSA-N
SpectraBase Compound ID LUpPBKyJBHt
InChI InChI=1S/C12H5NO2S/c13-6-7-5-9-8-3-4-16-11(8)2-1-10(9)15-12(7)14/h1-5H
InChIKey ICMWFQOXOVOFNS-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 LBgtcfhAe6z
Name 8-Cyano-7H-thieno(3,2-F)(1)-benzopyran-7-one
CAS Registry Number 73709-08-7
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H5NO2S
InChI InChI=1S/C12H5NO2S/c13-6-7-5-9-8-3-4-16-11(8)2-1-10(9)15-12(7)14/h1-5H
InChIKey ICMWFQOXOVOFNS-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