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Urushiol ii, 2tms derivative

View entire compound with spectra: 1 NMR, and 1 MS (GC)

Urushiol ii, 2tms derivative
SpectraBase Compound ID 2Zghiqcv8xG
InChI InChI=1S/C29H56O2Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26-28(30-32(2,3)4)29(27)31-33(5,6)7/h23,25-26H,8-22,24H2,1-7H3
InChIKey TVCWYUVXDXVMTH-UHFFFAOYSA-N
Mol Weight 492.9 g/mol
Molecular Formula C29H56O2Si2
Exact Mass 492.381884 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 782IzTUopIf
Name Urushiol ii, 2tms derivative
Comments Computed using HOSE algorithm
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Exact Mass 492.381884111 u
Formula C29H56O2Si2
InChI InChI=1S/C29H56O2Si2/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-27-25-23-26-28(30-32(2,3)4)29(27)31-33(5,6)7/h23,25-26H,8-22,24H2,1-7H3
InChIKey TVCWYUVXDXVMTH-UHFFFAOYSA-N
Molecular Weight 492.935 g/mol
SMILES C1(=C(C(=CC=C1)CCCCCCCCCCCCCCCCC)O[Si](C)(C)C)O[Si](C)(C)C