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ISOTHIOCHROMAN-4-ON-2-OXID
SpectraBase Compound ID 934LODrKdNa
InChI InChI=1S/C9H8O2S/c10-9-6-12(11)5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKey PTMMZZYGMOMOFO-UHFFFAOYSA-N
Mol Weight 180.22 g/mol
Molecular Formula C9H8O2S
Exact Mass 180.024501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HIjMXh27Efw
Name Isothiochromanone 2-oxide
CAS Registry Number 29399-50-6
Comments APPROXIMATE VALUES BETWEEN 128.2 AND 131.6 PPM ARBITRARILY ASSIGNED
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H8O2S
InChI InChI=1S/C9H8O2S/c10-9-6-12(11)5-7-3-1-2-4-8(7)9/h1-4H,5-6H2
InChIKey PTMMZZYGMOMOFO-UHFFFAOYSA-N
Instrument Name Varian XL-100
Literature Reference M.S. Chauhan, I.W. Still, Can. J. Chem. 53, 2880 (1975).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3