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(5S,7S,8R)-7,8-[(S)-Benzylidenedioxy]-3,3,5-trichloro-7,8-dihydroxyoxonan-2-one
SpectraBase Compound ID 3qgVnn6HbNU
InChI InChI=1S/C15H15Cl3O4/c16-10-6-11-12(8-20-14(19)15(17,18)7-10)22-13(21-11)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2/t10-,11-,12+,13-/m0/s1
InChIKey NOOLNWXUBASNMP-RVMXOQNASA-N
Mol Weight 365.64 g/mol
Molecular Formula C15H15Cl3O4
Exact Mass 364.003592 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KhZYvcaweMd
Name (5S,7S,8R)-7,8-[(S)-Benzylidenedioxy]-3,3,5-trichloro-7,8-dihydroxyoxonan-2-one
Alternate Name(s) (2S,3aR,9S,10aS)-7,7,9-trichloro-2-phenylhexahydro[1,3]dioxolo[4,5-c]oxonin-6(4H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H15Cl3O4
InChI InChI=1S/C15H15Cl3O4/c16-10-6-11-12(8-20-14(19)15(17,18)7-10)22-13(21-11)9-4-2-1-3-5-9/h1-5,10-13H,6-8H2/t10-,11-,12+,13-/m0/s1
InChIKey NOOLNWXUBASNMP-RVMXOQNASA-N
Molecular Weight 365.640 g/mol
SMILES C1(C(OC[C@]2(O[C@](O[C@]2(C[C@@](C1)(Cl)[H])[H])(c1ccccc1)[H])[H])=O)(Cl)Cl
SPLASH splash10-0cfr-4928000000-a6cf666010714a789921
Source of Spectrum SO-0-469-37
Wiley ID 1545669