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Cumanin, 2tms
SpectraBase Compound ID KdtwhqNuLms
InChI InChI=1S/C21H38O4Si2/c1-13-10-17-15(14(2)20(22)23-17)12-21(3)16(13)11-18(24-26(4,5)6)19(21)25-27(7,8)9/h13,15-19H,2,10-12H2,1,3-9H3/t13-,15+,16-,17+,18-,19-,21-/m0/s1
InChIKey PFXBIIOQFHYZGA-DTSQOIINSA-N
Mol Weight 410.7 g/mol
Molecular Formula C21H38O4Si2
Exact Mass 410.230863 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 92WaQRNkH6V
Name Cumanin, 2tms
Comments Computed using HOSE algorithm
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Exact Mass 410.230862770 u
Formula C21H38O4Si2
InChI InChI=1S/C21H38O4Si2/c1-13-10-17-15(14(2)20(22)23-17)12-21(3)16(13)11-18(24-26(4,5)6)19(21)25-27(7,8)9/h13,15-19H,2,10-12H2,1,3-9H3/t13-,15+,16-,17+,18-,19-,21-/m0/s1
InChIKey PFXBIIOQFHYZGA-DTSQOIINSA-N
Molecular Weight 410.701 g/mol
SMILES [C@]12([C@@](C[C@@]([C@@]2(O[Si](C)(C)C)[H])(O[Si](C)(C)C)[H])([C@@](C)(C[C@]2(OC(C([C@]2(C1)[H])=C)=O)[H])[H])[H])C