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(3S,4AR,8AS)-3-[(R)-2'-OCTYLOXY]-4A,5,8,8A-TETRAHYDRO-1H-2-BENZOPYRAN-4(3H)-ONE
SpectraBase Compound ID 33HsqTVXDGz
InChI InChI=1S/C17H28O3/c1-3-4-5-6-9-13(2)20-17-16(18)15-11-8-7-10-14(15)12-19-17/h7-8,13-15,17H,3-6,9-12H2,1-2H3/t13-,14+,15+,17-/m0/s1
InChIKey CGIIAWASCFZWBB-HWMZRRJGSA-N
Mol Weight 280.41 g/mol
Molecular Formula C17H28O3
Exact Mass 280.203845 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Jc7SgEIiYs
Name (3S,4AR,8AS)-3-[(R)-2'-OCTYLOXY]-4A,5,8,8A-TETRAHYDRO-1H-2-BENZOPYRAN-4(3H)-ONE
Compound Number 10C
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C17H28O3
InChI InChI=1S/C17H28O3/c1-3-4-5-6-9-13(2)20-17-16(18)15-11-8-7-10-14(15)12-19-17/h7-8,13-15,17H,3-6,9-12H2,1-2H3/t13-,14+,15+,17-/m0/s1
InChIKey CGIIAWASCFZWBB-HWMZRRJGSA-N
Literature Reference Author C.A.I.CAPACCIO,O.VARELA
Literature Reference Citation J.ORG.CHEM.,66,8859(2001)
Literature Reference DOI 10.1021/jo0106896
Molecular Weight 280.408 g/mol
Solvent CDCl3
Source File Reference UWLU29144