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(4-Benzoyloxy-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-en-6-yl)methyl benzoate, tms derivative

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(4-Benzoyloxy-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-en-6-yl)methyl benzoate, tms derivative
SpectraBase Compound ID 9K7gUGq1KlO
InChI InChI=1S/C24H26O6Si/c1-31(2,3)30-21-19(28-23(26)18-12-8-5-9-13-18)14-15-20-24(21,29-20)16-27-22(25)17-10-6-4-7-11-17/h4-15,19-21H,16H2,1-3H3
InChIKey VTMOJZRRVBCLKA-UHFFFAOYSA-N
Mol Weight 438.55 g/mol
Molecular Formula C24H26O6Si
Exact Mass 438.149865 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Csp4gtrQ9E0
Name (4-Benzoyloxy-5-hydroxy-7-oxabicyclo[4.1.0]hept-2-en-6-yl)methyl benzoate, tms derivative
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 438.149865086 u
Formula C24H26O6Si
InChI InChI=1S/C24H26O6Si/c1-31(2,3)30-21-19(28-23(26)18-12-8-5-9-13-18)14-15-20-24(21,29-20)16-27-22(25)17-10-6-4-7-11-17/h4-15,19-21H,16H2,1-3H3
InChIKey VTMOJZRRVBCLKA-UHFFFAOYSA-N
Molecular Weight 438.551 g/mol
SMILES C(OCC12C(C=CC(OC(C3=CC=CC=C3)=O)C1O[Si](C)(C)C)O2)(C1=CC=CC=C1)=O