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Anticopalic acid, tms ester

View entire compound with spectra: 1 NMR

Anticopalic acid, tms ester
SpectraBase Compound ID GsnRRMavxGX
InChI InChI=1S/C23H40O2Si/c1-17(16-21(24)25-26(6,7)8)10-12-19-18(2)11-13-20-22(3,4)14-9-15-23(19,20)5/h16,19-20H,2,9-15H2,1,3-8H3/b17-16+/t19-,20-,23+/m0/s1
InChIKey VDMURMJUPQZEMY-RLVINRJKSA-N
Mol Weight 376.7 g/mol
Molecular Formula C23H40O2Si
Exact Mass 376.279757 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EMxv3D1K9It
Name Anticopalic acid, tms ester
Comments Computed using HOSE algorithm
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Exact Mass 376.279757061 u
Formula C23H40O2Si
InChI InChI=1S/C23H40O2Si/c1-17(16-21(24)25-26(6,7)8)10-12-19-18(2)11-13-20-22(3,4)14-9-15-23(19,20)5/h16,19-20H,2,9-15H2,1,3-8H3/b17-16+/t19-,20-,23+/m0/s1
InChIKey VDMURMJUPQZEMY-RLVINRJKSA-N
Molecular Weight 376.656 g/mol
SMILES C1CC([C@@]2(CCC([C@@]([C@]2(C1)C)(CC\C(=C\C(=O)O[Si](C)(C)C)C)[H])=C)[H])(C)C