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Hexahydro-4,7,7-trimethyl-8-(1-hydroxy-1-ethyl-2-propyn-1-yl)-trans-benzoxathiane

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Hexahydro-4,7,7-trimethyl-8-(1-hydroxy-1-ethyl-2-propyn-1-yl)-trans-benzoxathiane
SpectraBase Compound ID 71HKPYYe7K
InChI InChI=1S/C16H26O2S/c1-6-16(17,7-2)14-18-13-10-11(3)8-9-12(13)15(4,5)19-14/h1,11-14,17H,7-10H2,2-5H3/t11-,12-,13-,14-,16?/m1/s1
InChIKey ZAKAAPOUPZJFGP-PXMXHDNPSA-N
Mol Weight 282.44 g/mol
Molecular Formula C16H26O2S
Exact Mass 282.165351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DgP1O8ycCD3
Name Hexahydro-4,7,7-trimethyl-8-(1-hydroxy-1-ethyl-2-propyn-1-yl)-trans-benzoxathiane
Comments reassigned
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Formula C16H26O2S
InChI InChI=1S/C16H26O2S/c1-6-16(17,7-2)14-18-13-10-11(3)8-9-12(13)15(4,5)19-14/h1,11-14,17H,7-10H2,2-5H3/t11-,12-,13-,14-,16?/m1/s1
InChIKey ZAKAAPOUPZJFGP-PXMXHDNPSA-N
Instrument Name Bruker WM-250
Literature Reference J.E. Lynch, E.L. Eliel, J. Am. Chem. Soc. 106, 2943 (1984).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent CDCl3