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(3S,5S,7S,8R)-7,8-[(S)-Benzylidenedioxy]-3,5-dichloro-7,8-dihydroxyoxonan-2-one
SpectraBase Compound ID KA498da62Q1
InChI InChI=1S/C15H16Cl2O4/c16-10-6-11(17)14(18)19-8-13-12(7-10)20-15(21-13)9-4-2-1-3-5-9/h1-5,10-13,15H,6-8H2/t10-,11+,12+,13-,15+/m1/s1
InChIKey SPAHHZDNJOMBQY-KDBYPZKRSA-N
Mol Weight 331.2 g/mol
Molecular Formula C15H16Cl2O4
Exact Mass 330.042564 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 26JgQ4gFBKm
Name (3S,5S,7S,8R)-7,8-[(S)-Benzylidenedioxy]-3,5-dichloro-7,8-dihydroxyoxonan-2-one
Alternate Name(s) (2S,3aR,7S,9S,10aS)-7,9-dichloro-2-phenylhexahydro[1,3]dioxolo[4,5-c]oxonin-6(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H16Cl2O4
InChI InChI=1S/C15H16Cl2O4/c16-10-6-11(17)14(18)19-8-13-12(7-10)20-15(21-13)9-4-2-1-3-5-9/h1-5,10-13,15H,6-8H2/t10-,11+,12+,13-,15+/m1/s1
InChIKey SPAHHZDNJOMBQY-KDBYPZKRSA-N
Molecular Weight 331.195 g/mol
SMILES [C@@]1(O[C@@]2(COC(=O)[C@](C[C@](C[C@@]2(O1)[H])(Cl)[H])(Cl)[H])[H])(c1ccccc1)[H]
SPLASH splash10-0a4i-5912000000-015e0a9563323cd78c17
Source of Spectrum SO-0-468-36
Wiley ID 1545670