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Silane, (1,1-dimethylethyl)[3-(hexadecyloxy)-2-(phenylmethoxy)propoxy]diphenyl-, (.+-.)-

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Silane, (1,1-dimethylethyl)[3-(hexadecyloxy)-2-(phenylmethoxy)propoxy]diphenyl-, (.+-.)-
SpectraBase Compound ID JxraHHotPFR
InChI InChI=1S/C42H64O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-27-34-43-36-39(44-35-38-28-21-18-22-29-38)37-45-46(42(2,3)4,40-30-23-19-24-31-40)41-32-25-20-26-33-41/h18-26,28-33,39H,5-17,27,34-37H2,1-4H3/t39-/m1/s1
InChIKey ZSXHBAGHKKMTOX-LDLOPFEMSA-N
Mol Weight 645.1 g/mol
Molecular Formula C42H64O3Si
Exact Mass 644.462472 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CpLAmkrGffS
Name Silane, (1,1-dimethylethyl)[3-(hexadecyloxy)-2-(phenylmethoxy)propoxy]diphenyl-, (.+-.)-
Comments Computed using HOSE algorithm
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Exact Mass 644.462472453 u
Formula C42H64O3Si
InChI InChI=1S/C42H64O3Si/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-27-34-43-36-39(44-35-38-28-21-18-22-29-38)37-45-46(42(2,3)4,40-30-23-19-24-31-40)41-32-25-20-26-33-41/h18-26,28-33,39H,5-17,27,34-37H2,1-4H3/t39-/m1/s1
InChIKey ZSXHBAGHKKMTOX-LDLOPFEMSA-N
Molecular Weight 645.056 g/mol
SMILES C(O[Si](C(C)(C)C)(C=1C=CC=CC1)C1=CC=CC=C1)[C@](OCC1=CC=CC=C1)(COCCCCCCCCCCCCCCCC)[H]