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(1R,5S,6S,7R,9S)-5-ETHYL-7-(2-THIENYL)-13-OXATRICYCLO-[7.3.1.0(1,6)]-TRIDECAN-9-OL
SpectraBase Compound ID YqotN1P8cp
InChI InChI=1S/C18H26O2S/c1-2-13-6-3-8-17-9-5-10-18(19,20-17)12-14(16(13)17)15-7-4-11-21-15/h4,7,11,13-14,16,19H,2-3,5-6,8-10,12H2,1H3/t13-,14-,16-,17+,18-/m0/s1
InChIKey KZRDEJONAULSIM-XWJBARJFSA-N
Mol Weight 306.46 g/mol
Molecular Formula C18H26O2S
Exact Mass 306.165351 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID IGFKzOU82Iw
Name (1R,5S,6S,7R,9S)-5-ETHYL-7-(2-THIENYL)-13-OXATRICYCLO-[7.3.1.0(1,6)]-TRIDECAN-9-OL
Compound Number 1E
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26O2S
InChI InChI=1S/C18H26O2S/c1-2-13-6-3-8-17-9-5-10-18(19,20-17)12-14(16(13)17)15-7-4-11-21-15/h4,7,11,13-14,16,19H,2-3,5-6,8-10,12H2,1H3/t13-,14-,16-,17+,18-/m0/s1
InChIKey KZRDEJONAULSIM-XWJBARJFSA-N
Literature Reference Author J.BARLUENGA,A.DIEGUEZ,F.RODRIGUEZ,J.FLOREZ,F.J.FANANAS
Literature Reference Citation J.AM.CHEM.SOC.,124,9056(2002)
Literature Reference DOI 10.1021/ja0264551
Molecular Weight 306.463 g/mol
Sample ID 34061
Solvent CDCl3