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BRNMIIDEQOJZTP-UHFFFAOYSA-N

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BRNMIIDEQOJZTP-UHFFFAOYSA-N
SpectraBase Compound ID 26XVIeoB6vB
InChI InChI=1S/C9H8O2S/c1-7-6-8-4-2-3-5-9(8)12(7,10)11/h2-6H,1H3
InChIKey BRNMIIDEQOJZTP-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 1KeekIgc6IT
Name 2-Methyl-thianaphthene 1,1-dioxide
CAS Registry Number 6224-55-1
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C9H8O2S
InChI InChI=1S/C9H8O2S/c1-7-6-8-4-2-3-5-9(8)12(7,10)11/h2-6H,1H3
InChIKey BRNMIIDEQOJZTP-UHFFFAOYSA-N
Instrument Name Bruker HX-90
Literature Reference P. Geneste, J.L. Olive, J. Org. Chem. 44, 2887 (1979).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3