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Galbanic acid, tms
SpectraBase Compound ID GtryeKwocyg
InChI InChI=1S/C27H38O5Si/c1-18(2)22-12-8-19(3)27(4,23(22)13-15-26(29)32-33(5,6)7)17-30-21-11-9-20-10-14-25(28)31-24(20)16-21/h9-11,14,16,19,23H,8,12-13,15,17H2,1-7H3/t19-,23-,27-/m0/s1
InChIKey USSCHUBGKUEEQH-UHORWHLBSA-N
Mol Weight 470.7 g/mol
Molecular Formula C27H38O5Si
Exact Mass 470.248851 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LVTkilE4Adp
Name Galbanic acid, tms
Comments Computed using HOSE algorithm
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Exact Mass 470.248850854 u
Formula C27H38O5Si
InChI InChI=1S/C27H38O5Si/c1-18(2)22-12-8-19(3)27(4,23(22)13-15-26(29)32-33(5,6)7)17-30-21-11-9-20-10-14-25(28)31-24(20)16-21/h9-11,14,16,19,23H,8,12-13,15,17H2,1-7H3/t19-,23-,27-/m0/s1
InChIKey USSCHUBGKUEEQH-UHORWHLBSA-N
Molecular Weight 470.681 g/mol
SMILES C1=2OC(C=CC2C=CC(=C1)OC[C@]1([C@](CCC([C@@]1(CCC(=O)O[Si](C)(C)C)[H])=C(C)C)(C)[H])C)=O