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threo-Hexitol, 2,5-anhydro-1,6-dideoxy-2,5-di-C-methyl-, bis(3-chlorobenzoate)
SpectraBase Compound ID 26Ymo7stbr8
InChI InChI=1S/C22H22Cl2O5/c1-21(2)17(27-19(25)13-7-5-9-15(23)11-13)18(22(3,4)29-21)28-20(26)14-8-6-10-16(24)12-14/h5-12,17-18H,1-4H3/t17-,18+
InChIKey ALUWYKISGUZMHL-HDICACEKSA-N
Mol Weight 437.32 g/mol
Molecular Formula C22H22Cl2O5
Exact Mass 436.084429 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6EIphMbecne
Name threo-Hexitol, 2,5-anhydro-1,6-dideoxy-2,5-di-C-methyl-, bis(3-chlorobenzoate)
CAS Registry Number 96597-92-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22Cl2O5
InChI InChI=1S/C22H22Cl2O5/c1-21(2)17(27-19(25)13-7-5-9-15(23)11-13)18(22(3,4)29-21)28-20(26)14-8-6-10-16(24)12-14/h5-12,17-18H,1-4H3/t17-,18+
InChIKey ALUWYKISGUZMHL-HDICACEKSA-N
Molecular Weight 437.319 g/mol
SMILES [C@@]1([C@@](C(C)(C)OC1(C)C)(OC(c1cc(Cl)ccc1)=O)[H])(OC(c1cc(Cl)ccc1)=O)[H]
SPLASH splash10-002s-0490700000-455bde90b9fd3b328442
Source of Spectrum K-118-1269-5
Synonyms (3S,4R)-4-[(3-chlorophenyl)carbonyloxy]-2,2,5,5-tetramethyloxolan-3-yl 3-chlorobenzoate cis-3,4-bis(m-chlorobenzoyloxy)-2,2,5,5-tetramethyltetrahydrofuran
Wiley ID 1383438