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CIS,CIS-4,7-DIMETHYL-5,6-BENZO-2-OXO-1,3,2-DIOXATHIEPIN
SpectraBase Compound ID IM3jUgjjfTq
InChI InChI=1S/C10H12O3S/c1-7-9-5-3-4-6-10(9)8(2)13-14(11)12-7/h3-8H,1-2H3/t7-,8+,14?
InChIKey CSEFIGIHZOIJFC-SZIUVUDRSA-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 5DACT295k6r
Name CIS,CIS-4,7-DIMETHYL-5,6-BENZO-2-OXO-1,3,2-DIOXATHIEPIN
Compound Number 6C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H12O3S
InChI InChI=1S/C10H12O3S/c1-7-9-5-3-4-6-10(9)8(2)13-14(11)12-7/h3-8H,1-2H3/t7-,8+,14?
InChIKey CSEFIGIHZOIJFC-SZIUVUDRSA-N
Literature Reference Author A.LACHAPELLE,M.ST-JACQUES,A.C.GUIMARAES,P.DEALMEIDA
Literature Reference Citation CAN.J.CHEM.,61,2244(1983)
Literature Reference DOI 10.1139/v83-389
Molecular Weight 212.263 g/mol
Solvent CHClF2
Source File Reference UWED3003