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3-Methoxycarbonyl-4-oxo-4H-(1)benzopyrano(4,3-C)isothiazole

View entire compound with spectra: 4 NMR

3-Methoxycarbonyl-4-oxo-4H-(1)benzopyrano(4,3-C)isothiazole
SpectraBase Compound ID LPH8PRUziXD
InChI InChI=1S/C12H7NO4S/c1-16-12(15)10-8-9(13-18-10)6-4-2-3-5-7(6)17-11(8)14/h2-5H,1H3
InChIKey BNRGNYIDQLGUMG-UHFFFAOYSA-N
Mol Weight 261.25 g/mol
Molecular Formula C12H7NO4S
Exact Mass 261.009579 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9pgQlclGLQx
Name 3-Methoxycarbonyl-4-oxo-4H-(1)benzopyrano(4,3-C)isothiazole
CAS Registry Number 118134-05-7
Comments reassigned
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C12H7NO4S
InChI InChI=1S/C12H7NO4S/c1-16-12(15)10-8-9(13-18-10)6-4-2-3-5-7(6)17-11(8)14/h2-5H,1H3
InChIKey BNRGNYIDQLGUMG-UHFFFAOYSA-N
Literature Reference P.A. Brownsort, R.M. Paton, J. Chem. Soc. Perkin I 2339 (1987).
NMR Standard not reported
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3