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acetic acid [(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]methyl ester
SpectraBase Compound ID HcvY0pbIWLo
InChI InChI=1S/C17H30O3/c1-12(18)20-11-14-16(4)9-6-8-15(2,3)13(16)7-10-17(14,5)19/h13-14,19H,6-11H2,1-5H3/t13-,14+,16-,17+/m0/s1
InChIKey VSZSBPFFXQATCL-HDEZJCGLSA-N
Mol Weight 282.42 g/mol
Molecular Formula C17H30O3
Exact Mass 282.219495 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4Kr9g268kjh
Name acetic acid [(1S,2R,4aS,8aS)-2-hydroxy-2,5,5,8a-tetramethyl-decalin-1-yl]methyl ester
Compound Number 7
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Formula C17H30O3
InChI InChI=1S/C17H30O3/c1-12(18)20-11-14-16(4)9-6-8-15(2,3)13(16)7-10-17(14,5)19/h13-14,19H,6-11H2,1-5H3/t13-,14+,16-,17+/m0/s1
InChIKey VSZSBPFFXQATCL-HDEZJCGLSA-N
Literature Reference Author M.P.POLOVINKA,D.V.KORCHAGINA,Y.V.GATILOV,I.Y.BAGRIANSKAYA,V. A.BARKHASH,V.V.SHCHE
Literature Reference Citation J.ORG.CHEM.,59,1509(1994)
Literature Reference DOI 10.1021/jo00085a044
Molecular Weight 282.423 g/mol
Solvent CDCl3
Source File Reference UWCP5136