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(E)-4-Phenyl-3-(phenylsulfonyl)but-3-en-2-yl triisopropylsilyl ether
SpectraBase Compound ID ECHUti3iPiE
InChI InChI=1S/C25H36O3SSi/c1-19(2)30(20(3)4,21(5)6)28-22(7)25(18-23-14-10-8-11-15-23)29(26,27)24-16-12-9-13-17-24/h8-22H,1-7H3/b25-18+
InChIKey RTUMUDRRWLEATB-XIEYBQDHSA-N
Mol Weight 444.7 g/mol
Molecular Formula C25H36O3SSi
Exact Mass 444.215443 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J0iD4BnOsDt
Name (E)-4-Phenyl-3-(phenylsulfonyl)but-3-en-2-yl triisopropylsilyl ether
Comments Computed using HOSE algorithm
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Exact Mass 444.215442725 u
Formula C25H36O3SSi
InChI InChI=1S/C25H36O3SSi/c1-19(2)30(20(3)4,21(5)6)28-22(7)25(18-23-14-10-8-11-15-23)29(26,27)24-16-12-9-13-17-24/h8-22H,1-7H3/b25-18+
InChIKey RTUMUDRRWLEATB-XIEYBQDHSA-N
Molecular Weight 444.705 g/mol
SMILES C(\C(S(=O)(=O)C1=CC=CC=C1)=C/C=1C=CC=CC1)(O[Si](C(C)C)(C(C)C)C(C)C)C