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2-BETA-(2-CARBAMIMIDOLYLTHIOETHOXY)-CLOVAN-9-ALPHA-OL
SpectraBase Compound ID 5MXKrTeXeAB
InChI InChI=1S/C18H32N2O2S/c1-16(2)10-14(22-8-9-23-15(19)20)18-7-5-13(21)17(3,11-18)6-4-12(16)18/h12-14,21H,4-11H2,1-3H3,(H3,19,20)/t12-,13+,14-,17+,18-/m0/s1
InChIKey VUJNGYFFNXFYLK-ASJPCPMZSA-N
Mol Weight 340.5 g/mol
Molecular Formula C18H32N2O2S
Exact Mass 340.218449 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 36N8IWGOdLF
Name 2-BETA-(2-CARBAMIMIDOYLTHIOETHOXY)-CLOVAN-9-ALPHA-OL
Compound Number 18
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H32N2O2S
InChI InChI=1S/C18H32N2O2S/c1-16(2)10-14(22-8-9-23-15(19)20)18-7-5-13(21)17(3,11-18)6-4-12(16)18/h12-14,21H,4-11H2,1-3H3,(H3,19,20)/t12-,13+,14-,17+,18-/m0/s1
InChIKey VUJNGYFFNXFYLK-ASJPCPMZSA-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 340.524 g/mol
Sample ID 41753
Solvent CDCl3