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10-Hydroxy-1,6-dimethyl-9-(propan-2-yl)-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-yl (2E)-3-phenylprop-2-enoate, tms
SpectraBase Compound ID Jo74hUj5I0
InChI InChI=1S/C27H40O5Si/c1-18(2)23-20(29-22(28)14-13-19-11-9-8-10-12-19)17-27(4)21(30-27)15-16-26(3)25(31-26)24(23)32-33(5,6)7/h8-14,18,20-21,23-25H,15-17H2,1-7H3/b14-13+
InChIKey PKIHDKJPHYJSOV-BUHFOSPRSA-N
Mol Weight 472.7 g/mol
Molecular Formula C27H40O5Si
Exact Mass 472.264501 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DYJntmMYshh
Name 10-Hydroxy-1,6-dimethyl-9-(propan-2-yl)-5,12-dioxatricyclo[9.1.0.04,6]dodecan-8-yl (2E)-3-phenylprop-2-enoate, tms
Comments Computed using HOSE algorithm
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Exact Mass 472.264500918 u
Formula C27H40O5Si
InChI InChI=1S/C27H40O5Si/c1-18(2)23-20(29-22(28)14-13-19-11-9-8-10-12-19)17-27(4)21(30-27)15-16-26(3)25(31-26)24(23)32-33(5,6)7/h8-14,18,20-21,23-25H,15-17H2,1-7H3/b14-13+
InChIKey PKIHDKJPHYJSOV-BUHFOSPRSA-N
Molecular Weight 472.697 g/mol
SMILES C1CC2(C)C(C(C(C(CC3(C1O3)C)OC(\C=C\C1=CC=CC=C1)=O)C(C)C)O[Si](C)(C)C)O2