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4-[(E)-5-Hydroxy-3-methylpent-3-enyl]-3,5,5-trimethylcyclohex-2-en-1-one, tms
SpectraBase Compound ID 3Yd3yxbraBX
InChI InChI=1S/C18H32O2Si/c1-14(10-11-20-21(5,6)7)8-9-17-15(2)12-16(19)13-18(17,3)4/h10,12,17H,8-9,11,13H2,1-7H3/b14-10+
InChIKey LVLJHLQOGKDZNA-GXDHUFHOSA-N
Mol Weight 308.5 g/mol
Molecular Formula C18H32O2Si
Exact Mass 308.217157 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4JRLB6tjuXx
Name 4-[(E)-5-Hydroxy-3-methylpent-3-enyl]-3,5,5-trimethylcyclohex-2-en-1-one, tms
Comments Computed using HOSE algorithm
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Exact Mass 308.217156803 u
Formula C18H32O2Si
InChI InChI=1S/C18H32O2Si/c1-14(10-11-20-21(5,6)7)8-9-17-15(2)12-16(19)13-18(17,3)4/h10,12,17H,8-9,11,13H2,1-7H3/b14-10+
InChIKey LVLJHLQOGKDZNA-GXDHUFHOSA-N
Molecular Weight 308.537 g/mol
SMILES C1(CC(C(C(=C1)C)CC\C(=C\CO[Si](C)(C)C)C)(C)C)=O