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Erucic acid, benzyldimethylsilyl ester

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Erucic acid, benzyldimethylsilyl ester
SpectraBase Compound ID A3nNN9yFWbq
InChI InChI=1S/C31H54O2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31(32)33-34(2,3)29-30-26-23-22-24-27-30/h11-12,22-24,26-27H,4-10,13-21,25,28-29H2,1-3H3/b12-11+
InChIKey FRPCXQDGZFJAOQ-VAWYXSNFSA-N
Mol Weight 486.9 g/mol
Molecular Formula C31H54O2Si
Exact Mass 486.389308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CwMWNB2PWkF
Name Erucic acid, benzyldimethylsilyl ester
Comments Computed using HOSE algorithm
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Exact Mass 486.389307512 u
Formula C31H54O2Si
InChI InChI=1S/C31H54O2Si/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25-28-31(32)33-34(2,3)29-30-26-23-22-24-27-30/h11-12,22-24,26-27H,4-10,13-21,25,28-29H2,1-3H3/b12-11+
InChIKey FRPCXQDGZFJAOQ-VAWYXSNFSA-N
Molecular Weight 486.856 g/mol
SMILES C(=O)(O[Si](CC1=CC=CC=C1)(C)C)CCCCCCCCCCC\C=C\CCCCCCCC