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2-BETA-(2-MERCAPTOETHOXY)-CLOVAN-9-ALPHA-OL
SpectraBase Compound ID 4Sy1C43v0R3
InChI InChI=1S/C17H30O2S/c1-15(2)10-14(19-8-9-20)17-7-5-13(18)16(3,11-17)6-4-12(15)17/h12-14,18,20H,4-11H2,1-3H3/t12-,13+,14-,16+,17-/m0/s1
InChIKey ULXFCGJGNVTKMU-NHMCJKAESA-N
Mol Weight 298.49 g/mol
Molecular Formula C17H30O2S
Exact Mass 298.196651 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID ItIryvSJxXC
Name 2-BETA-(2-MERCAPTOETHOXY)-CLOVAN-9-ALPHA-OL
Compound Number 13
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H30O2S
InChI InChI=1S/C17H30O2S/c1-15(2)10-14(19-8-9-20)17-7-5-13(18)16(3,11-17)6-4-12(15)17/h12-14,18,20H,4-11H2,1-3H3/t12-,13+,14-,16+,17-/m0/s1
InChIKey ULXFCGJGNVTKMU-NHMCJKAESA-N
Literature Reference Author L.SAIZ-URRA,J.C.RACERO,A.J.MARCIAS-SANCHEZ,R.HERNANDEZ-GALAN ,J.R.HANSON,M.PEREZ-
Literature Reference Citation J.AGR.FOOD.CHEM.,57,2420(2009)
Literature Reference DOI 10.1021/jf8033978
Molecular Weight 298.484 g/mol
Sample ID 41754
Solvent CDCl3