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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9s56G1FVkbM
Name (1S)-3-[(4S,5S)-4,5-bis(benzoxymethyl)-1,3-dioxolan-2-yl]-1-phenyl-propan-1-ol
Alternate Name(s) (1S)-3-[(4S,5S)-4,5-bis(benzyloxymethyl)-1,3-dioxolan-2-yl]-1-phenyl-propan-1-ol (1S)-3-[(4S,5S)-4,5-bis(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-1-phenyl-1-propanol (1S)-3-[(4S,5S)-4,5-bis(phenylmethoxymethyl)-1,3-dioxolan-2-yl]-1-phenyl-propan-1-ol
Comments Less than 3 mono-isotopic peaks
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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 O[C@@](CCC1O[C@]([C@@](O1)(COCc1ccccc1)[H])(COCc1ccccc1)[H])(c1ccccc1)[H]
SPLASH splash10-0002-0900000000-e52c168bd6939e7c83e6
Source of Spectrum QC-6-1792-5
Wiley ID 868967