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2-(3-OXO-BUT-1-YL)-3-(2-METHYL-HEPT-6-YL)-2-METHYL-CYClOPENTANONE;(VITAMIN-D-DERIVATIVE)
SpectraBase Compound ID 87fyJxdmIea
InChI InChI=1S/C18H32O2/c1-13(2)7-6-8-14(3)16-9-10-17(20)18(16,5)12-11-15(4)19/h13-14,16H,6-12H2,1-5H3/t14-,16-,18-/m1/s1
InChIKey SDSHDGOIDUIQPV-QGPMSJSTSA-N
Mol Weight 280.5 g/mol
Molecular Formula C18H32O2
Exact Mass 280.24023 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FpR8syWO2Ap
Name 2-(3-OXO-BUT-1-YL)-3-(2-METHYL-HEPT-6-YL)-2-METHYL-CYClOPENTANONE;(VITAMIN-D-DERIVATIVE)
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H32O2
InChI InChI=1S/C18H32O2/c1-13(2)7-6-8-14(3)16-9-10-17(20)18(16,5)12-11-15(4)19/h13-14,16H,6-12H2,1-5H3/t14-,16-,18-/m1/s1
InChIKey SDSHDGOIDUIQPV-QGPMSJSTSA-N
Literature Reference Author D.DESMAELE,J.FICINI,A.GUINGANT,A.M.TOUZIN
Literature Reference Citation TETRAH.LETT.,24,3083(1983)
Literature Reference DOI 10.1016/S0040-4039(00)88101-0
Molecular Weight 280.451 g/mol
Solvent CDCl3
Source File Reference UWWR5008