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4-(ORTHO-TOLUOYL)-5-HYDROXY-1,3-BENZOXATHIOL-2-ONE

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4-(ORTHO-TOLUOYL)-5-HYDROXY-1,3-BENZOXATHIOL-2-ONE
SpectraBase Compound ID 9G4YBNhEkVt
InChI InChI=1S/C15H10O4S/c1-8-4-2-3-5-9(8)13(17)12-10(16)6-7-11-14(12)20-15(18)19-11/h2-7,16H,1H3
InChIKey YEJBJQMEYIDYIC-UHFFFAOYSA-N
Mol Weight 286.3 g/mol
Molecular Formula C15H10O4S
Exact Mass 286.02998 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HlFo1ix2JGv
Name 4-(2-Toluoyl)-5-hydroxy-1,3-benzoxathiol-2-one
CAS Registry Number 112450-21-2
Copyright Copyright © 2002-2025 Wiley-VCH GmbH. All Rights Reserved.
Formula C15H10O4S
InChI InChI=1S/C15H10O4S/c1-8-4-2-3-5-9(8)13(17)12-10(16)6-7-11-14(12)20-15(18)19-11/h2-7,16H,1H3
InChIKey YEJBJQMEYIDYIC-UHFFFAOYSA-N
Instrument Name Bruker WH-90
Literature Reference R. Al-Hamdany, J.M. Al-Rawi, B.A.Ahmed, J. Prakt. Chem. 329, 337 (1987).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3