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Altholactone, tms derivative

View entire compound with spectra: 1 NMR

Altholactone, tms derivative
SpectraBase Compound ID 36C3km82Ef2
InChI InChI=1S/C16H20O4Si/c1-21(2,3)20-16-14(11-7-5-4-6-8-11)18-12-9-10-13(17)19-15(12)16/h4-10,12,14-16H,1-3H3/t12-,14+,15-,16+/m0/s1
InChIKey VMRRZJCOQLMXPX-DRPJVOAASA-N
Mol Weight 304.42 g/mol
Molecular Formula C16H20O4Si
Exact Mass 304.113086 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID KVvoeoFYn7T
Name Altholactone, tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 304.113085655 u
Formula C16H20O4Si
InChI InChI=1S/C16H20O4Si/c1-21(2,3)20-16-14(11-7-5-4-6-8-11)18-12-9-10-13(17)19-15(12)16/h4-10,12,14-16H,1-3H3/t12-,14+,15-,16+/m0/s1
InChIKey VMRRZJCOQLMXPX-DRPJVOAASA-N
Molecular Weight 304.417 g/mol
SMILES [C@@]12([C@](C=CC(O2)=O)(O[C@@]([C@]1(O[Si](C)(C)C)[H])(C1=CC=CC=C1)[H])[H])[H]