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3,5-Di-O-(4-chlorobenzyl)-1,2-O-isopropylidene-a-D-xylofuranose
SpectraBase Compound ID Dm9ICL63CX1
InChI InChI=1S/C22H24Cl2O5/c1-22(2)28-20-19(26-12-15-5-9-17(24)10-6-15)18(27-21(20)29-22)13-25-11-14-3-7-16(23)8-4-14/h3-10,18-21H,11-13H2,1-2H3/t18-,19+,20-,21-/m1/s1
InChIKey DGJSTDQXLROILV-PLACYPQZSA-N
Mol Weight 439.34 g/mol
Molecular Formula C22H24Cl2O5
Exact Mass 438.100079 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40d6aB5GT8a
Name 3,5-Di-O-(4-chlorobenzyl)-1,2-O-isopropylidene-a-D-xylofuranose
CAS Registry Number 114738-13-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H24Cl2O5
InChI InChI=1S/C22H24Cl2O5/c1-22(2)28-20-19(26-12-15-5-9-17(24)10-6-15)18(27-21(20)29-22)13-25-11-14-3-7-16(23)8-4-14/h3-10,18-21H,11-13H2,1-2H3/t18-,19+,20-,21-/m1/s1
InChIKey DGJSTDQXLROILV-PLACYPQZSA-N
Molecular Weight 439.335 g/mol
SMILES [C@@]12([C@@](OC(O2)(C)C)(O[C@@]([C@@]1(OCc1ccc(cc1)Cl)[H])(COCc1ccc(cc1)Cl)[H])[H])[H]
SPLASH splash10-004i-1900000000-b2b50edc241345318c3d
Source of Spectrum J-53-3291-11
Wiley ID 1384077