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(5S)-3-oxo-5,6-bis(phenylmethoxy)hexanoic acid (phenylmethyl) ester
SpectraBase Compound ID CAH6AfE1gyA
InChI InChI=1S/C27H28O5/c28-25(17-27(29)32-20-24-14-8-3-9-15-24)16-26(31-19-23-12-6-2-7-13-23)21-30-18-22-10-4-1-5-11-22/h1-15,26H,16-21H2/t26-/m0/s1
InChIKey AOFQXVDYOJMESA-SANMLTNESA-N
Mol Weight 432.52 g/mol
Molecular Formula C27H28O5
Exact Mass 432.193674 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8QGpxhcMV4j
Name (5S)-3-oxo-5,6-bis(phenylmethoxy)hexanoic acid (phenylmethyl) ester
Alternate Name(s) (5S)-5,6-dibenzoxy-3-keto-hexanoic acid benzyl ester (phenylmethyl) (5S)-3-oxidanylidene-5,6-bis(phenylmethoxy)hexanoate benzyl (5S)-3-oxo-5,6-bis(phenylmethoxy)hexanoate benzyl (5S)-5,6-dibenzyloxy-3-oxo-hexanoate
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Formula C27H28O5
InChI InChI=1S/C27H28O5/c28-25(17-27(29)32-20-24-14-8-3-9-15-24)16-26(31-19-23-12-6-2-7-13-23)21-30-18-22-10-4-1-5-11-22/h1-15,26H,16-21H2/t26-/m0/s1
InChIKey AOFQXVDYOJMESA-SANMLTNESA-N
Molecular Weight 432.516 g/mol
SMILES C(CC(C[C@@](COCc1ccccc1)(OCc1ccccc1)[H])=O)(=O)OCc1ccccc1
SPLASH splash10-0006-9100000000-8f7e0e7847dd84316d6b
Source of Spectrum E1-46-568-47
Wiley ID 1554320