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(2S,3R)-7-Tert-butyldimethylsilyloxy-2,3-epoxyheptyl 4-phenylbenzoate

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(2S,3R)-7-Tert-butyldimethylsilyloxy-2,3-epoxyheptyl 4-phenylbenzoate
SpectraBase Compound ID KITOKmBimXb
InChI InChI=1S/C26H36O4Si/c1-26(2,3)31(4,5)29-18-10-9-13-23-24(30-23)19-28-25(27)22-16-14-21(15-17-22)20-11-7-6-8-12-20/h6-8,11-12,14-17,23-24H,9-10,13,18-19H2,1-5H3/t23-,24+/m1/s1
InChIKey QXXCCKYPGKRUON-RPWUZVMVSA-N
Mol Weight 440.7 g/mol
Molecular Formula C26H36O4Si
Exact Mass 440.238286 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID BGIljuXzTHn
Name (2S,3R)-7-Tert-butyldimethylsilyloxy-2,3-epoxyheptyl 4-phenylbenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 440.238286170 u
Formula C26H36O4Si
InChI InChI=1S/C26H36O4Si/c1-26(2,3)31(4,5)29-18-10-9-13-23-24(30-23)19-28-25(27)22-16-14-21(15-17-22)20-11-7-6-8-12-20/h6-8,11-12,14-17,23-24H,9-10,13,18-19H2,1-5H3/t23-,24+/m1/s1
InChIKey QXXCCKYPGKRUON-RPWUZVMVSA-N
Molecular Weight 440.655 g/mol
SMILES [C@@]1(O[C@@]1(CCCCO[Si](C(C)(C)C)(C)C)[H])(COC(C=1C=CC(=CC1)C1=CC=CC=C1)=O)[H]