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Nabilone, tms derivative

View entire compound with spectra: 1 NMR

Nabilone, tms derivative
SpectraBase Compound ID 23WpilpMZwS
InChI InChI=1S/C27H44O3Si/c1-9-10-11-12-15-26(2,3)19-16-23-25(24(17-19)30-31(6,7)8)21-18-20(28)13-14-22(21)27(4,5)29-23/h16-17,21-22H,9-15,18H2,1-8H3
InChIKey HGNFBYPDELVTBF-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C27H44O3Si
Exact Mass 444.305972 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7UVNFQwpLHO
Name Nabilone, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 444.305971809 u
Formula C27H44O3Si
InChI InChI=1S/C27H44O3Si/c1-9-10-11-12-15-26(2,3)19-16-23-25(24(17-19)30-31(6,7)8)21-18-20(28)13-14-22(21)27(4,5)29-23/h16-17,21-22H,9-15,18H2,1-8H3
InChIKey HGNFBYPDELVTBF-UHFFFAOYSA-N
Molecular Weight 444.731 g/mol
SMILES C1=2C3C(C(OC2C=C(C=C1O[Si](C)(C)C)C(CCCCCC)(C)C)(C)C)CCC(C3)=O