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8,11-DIMETHYL-5,6-BENZO-2-OXO-1,3,2-DIOXATHIEPIN;(TWIST-BOAT-FORM)
SpectraBase Compound ID A8WsRWmxT2X
InChI InChI=1S/C10H12O3S/c1-7-3-4-8(2)10-6-13-14(11)12-5-9(7)10/h3-4H,5-6H2,1-2H3
InChIKey TXKMKLLRZHFFKC-UHFFFAOYSA-N
Mol Weight 212.26 g/mol
Molecular Formula C10H12O3S
Exact Mass 212.050715 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J31BRh5pDzO
Name 8,11-DIMETHYL-5,6-BENZO-2-OXO-1,3,2-DIOXATHIEPIN;(CHAIR-CONFORMATION)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12O3S
InChI InChI=1S/C10H12O3S/c1-7-3-4-8(2)10-6-13-14(11)12-5-9(7)10/h3-4H,5-6H2,1-2H3
InChIKey TXKMKLLRZHFFKC-UHFFFAOYSA-N
Literature Reference Author A.LACHAPELLE,M.ST-JAQUES
Literature Reference Citation CAN.J.CHEM.,63,2185(1985)
Literature Reference DOI 10.1139/v85-359
Molecular Weight 212.263 g/mol
Solvent CHF2Cl:CD2Cl2=4:1
Source File Reference UWED1441