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1,3-DIHYDROXY-2,4-DIMETHYL-6-ETHYLTHIOBENZENE
SpectraBase Compound ID Lu6VTrvGNFU
InChI InChI=1S/C10H14O2S/c1-4-13-8-5-6(2)9(11)7(3)10(8)12/h5,11-12H,4H2,1-3H3/i3+1
InChIKey SHQDIYFTIWWYHZ-LBPDFUHNSA-N
Mol Weight 199.27 g/mol
Molecular Formula C913CH14O2S
Exact Mass 199.074806 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8dPC7ESlNoK
Name 1,3-DIHYDROXY-2,4-DIMETHYL-6-ETHYLTHIOBENZENE
Compound Number 16
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C10H14O2S
InChI InChI=1S/C10H14O2S/c1-4-13-8-5-6(2)9(11)7(3)10(8)12/h5,11-12H,4H2,1-3H3/i3+1
InChIKey SHQDIYFTIWWYHZ-LBPDFUHNSA-N
Literature Reference Author J.BREINHOLT,S.DAMTOFT,L.B.FREDERIKSEN,L.B.L.HANSEN,S.R.JENSE N
Literature Reference Citation PHYTOCHEM.,39,1359(1995)
Literature Reference DOI 10.1016/0031-9422(95)00175-7
Molecular Weight 198.280 g/mol
Solvent CDCl3
Source File Reference UWMZ7727