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(1S)-3-[(4S,5S)-4,5-bis(benzoxymethyl)-1,3-dioxolan-2-yl]-1-phenyl-propan-1-ol
SpectraBase Compound ID CDATZgdjUlq
InChI InChI=1S/C28H32O5/c29-25(24-14-8-3-9-15-24)16-17-28-32-26(20-30-18-22-10-4-1-5-11-22)27(33-28)21-31-19-23-12-6-2-7-13-23/h1-15,25-29H,16-21H2/t25-,26-,27-/m0/s1
InChIKey WTRFMOQQTPENFI-QKDODKLFSA-N
Mol Weight 448.6 g/mol
Molecular Formula C28H32O5
Exact Mass 448.224974 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID CHJ5BDbdKxB
Name (1S)-3-[(4S,5S)-4,5-bis(Benzoxymethyl)-1,3-dioxolan-2-yl]-1-phenyl-propan-1-ol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 448.224974125 u
Formula C28H32O5
InChI InChI=1S/C28H32O5/c29-25(24-14-8-3-9-15-24)16-17-28-32-26(20-30-18-22-10-4-1-5-11-22)27(33-28)21-31-19-23-12-6-2-7-13-23/h1-15,25-29H,16-21H2/t25-,26-,27-/m0/s1
InChIKey WTRFMOQQTPENFI-QKDODKLFSA-N
Molecular Weight 448.559 g/mol
SMILES [C@@]1(OC(O[C@]1(COCC=1C=CC=CC1)[H])CC[C@@](C1=CC=CC=C1)(O)[H])(COCC=1C=CC=CC1)[H]