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1-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]pent-3-yn-2-one
SpectraBase Compound ID 2ShTc8ZuOa9
InChI InChI=1S/C19H28O/c1-6-8-15(20)13-16-14(2)9-10-17-18(3,4)11-7-12-19(16,17)5/h16-17H,2,7,9-13H2,1,3-5H3/t16-,17-,19+/m0/s1
InChIKey KHZPPEBXEQHVHY-JENIJYKNSA-N
Mol Weight 272.43 g/mol
Molecular Formula C19H28O
Exact Mass 272.214016 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EhmJK9gPDcI
Name 1-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]pent-3-yn-2-one
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C19H28O
InChI InChI=1S/C19H28O/c1-6-8-15(20)13-16-14(2)9-10-17-18(3,4)11-7-12-19(16,17)5/h16-17H,2,7,9-13H2,1,3-5H3/t16-,17-,19+/m0/s1
InChIKey KHZPPEBXEQHVHY-JENIJYKNSA-N
Literature Reference Author M.C.D.L.TORRE,I.GARCIA
Literature Reference Citation J.ORG.CHEM.,68,6611(2003)
Literature Reference DOI 10.1021/jo034177y
Molecular Weight 272.431 g/mol
Solvent CDCl3
Source File Reference UWLU28021