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Nabilone, tbdms derivative

View entire compound with spectra: 1 NMR

Nabilone, tbdms derivative
SpectraBase Compound ID 5jMkLbUKEzk
InChI InChI=1S/C30H50O3Si/c1-11-12-13-14-17-29(5,6)21-18-25-27(26(19-21)33-34(9,10)28(2,3)4)23-20-22(31)15-16-24(23)30(7,8)32-25/h18-19,23-24H,11-17,20H2,1-10H3
InChIKey YZWOEKHKXFJRKW-UHFFFAOYSA-N
Mol Weight 486.8 g/mol
Molecular Formula C30H50O3Si
Exact Mass 486.352922 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BAlKxlCNa2c
Name Nabilone, tbdms derivative
Comments Computed using HOSE algorithm
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Exact Mass 486.352922002 u
Formula C30H50O3Si
InChI InChI=1S/C30H50O3Si/c1-11-12-13-14-17-29(5,6)21-18-25-27(26(19-21)33-34(9,10)28(2,3)4)23-20-22(31)15-16-24(23)30(7,8)32-25/h18-19,23-24H,11-17,20H2,1-10H3
InChIKey YZWOEKHKXFJRKW-UHFFFAOYSA-N
Molecular Weight 486.812 g/mol
SMILES C1=2C3C(C(OC2C=C(C=C1O[Si](C)(C)C(C)(C)C)C(CCCCCC)(C)C)(C)C)CCC(C3)=O