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1-[4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol, tms derivative
SpectraBase Compound ID 2vKzOxIjCTx
InChI InChI=1S/C24H34O6Si/c1-24(2,25)22(30-31(4,5)6)15-27-19-11-9-17(10-12-19)7-8-18-13-20(26-3)23-21(14-18)28-16-29-23/h9-14,22,25H,7-8,15-16H2,1-6H3
InChIKey GFJYAMJEGDVGLS-UHFFFAOYSA-N
Mol Weight 446.6 g/mol
Molecular Formula C24H34O6Si
Exact Mass 446.212465 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID QCwNGho99Y
Name 1-[4-[2-(7-Methoxy-1,3-benzodioxol-5-yl)ethyl]phenoxy]-3-methylbutane-2,3-diol, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 446.212465344 u
Formula C24H34O6Si
InChI InChI=1S/C24H34O6Si/c1-24(2,25)22(30-31(4,5)6)15-27-19-11-9-17(10-12-19)7-8-18-13-20(26-3)23-21(14-18)28-16-29-23/h9-14,22,25H,7-8,15-16H2,1-6H3
InChIKey GFJYAMJEGDVGLS-UHFFFAOYSA-N
Molecular Weight 446.615 g/mol
SMILES C(COC1=CC=C(CCC2=CC(OC)=C3OCOC3=C2)C=C1)(C(C)(O)C)O[Si](C)(C)C