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Carabrol, tms
SpectraBase Compound ID 3QywiDHPzeJ
InChI InChI=1S/C18H30O3Si/c1-11(21-22(4,5)6)7-8-14-15-9-13-12(2)17(19)20-16(13)10-18(14,15)3/h11,13-16H,2,7-10H2,1,3-6H3/t11-,13-,14+,15+,16-,18-/m1/s1
InChIKey UBESZBNNJLSQSQ-SFJQKUMPSA-N
Mol Weight 322.52 g/mol
Molecular Formula C18H30O3Si
Exact Mass 322.196421 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AFyBKzgfgEW
Name Carabrol, tms
Comments Computed using HOSE algorithm
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Exact Mass 322.196421358 u
Formula C18H30O3Si
InChI InChI=1S/C18H30O3Si/c1-11(21-22(4,5)6)7-8-14-15-9-13-12(2)17(19)20-16(13)10-18(14,15)3/h11,13-16H,2,7-10H2,1,3-6H3/t11-,13-,14+,15+,16-,18-/m1/s1
InChIKey UBESZBNNJLSQSQ-SFJQKUMPSA-N
Molecular Weight 322.520 g/mol
SMILES C[Si](C)(C)O[C@](C)(CC[C@]1([C@]2([H])C[C@]3([C@@]([H])(C[C@]12C)OC(C3=C)=O)[H])[H])[H]