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[(2R,3S,5R)-5-chloranyl-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate
SpectraBase Compound ID 9H035UhSZew
InChI InChI=1S/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19-/m0/s1
InChIKey FJHSYOMVMMNQJQ-OTWHNJEPSA-N
Mol Weight 388.85 g/mol
Molecular Formula C21H21ClO5
Exact Mass 388.107751 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LFgeZAQbBi2
Name [(2R,3S,5R)-5-chloranyl-3-(4-methylphenyl)carbonyloxy-oxolan-2-yl]methyl 4-methylbenzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H21ClO5
InChI InChI=1S/C21H21ClO5/c1-13-3-7-15(8-4-13)20(23)25-12-18-17(11-19(22)26-18)27-21(24)16-9-5-14(2)6-10-16/h3-10,17-19H,11-12H2,1-2H3/t17-,18+,19-/m0/s1
InChIKey FJHSYOMVMMNQJQ-OTWHNJEPSA-N
Literature Reference DOI 10.1021/jo401845q
Molecular Weight 388.847 g/mol
SMILES [C@]1(OC(c2ccc(C)cc2)=O)([C@@](COC(c2ccc(cc2)C)=O)(O[C@@](C1)(Cl)[H])[H])[H]
SPLASH splash10-0ar0-3900000000-af37b024ec846b402dc9
Source of Spectrum J-78-11811-Table1,entry7
Synonyms [(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxy-tetrahydrofuran-2-yl]methyl 4-methylbenzoate a-1',2'-Dideoxy-3',5'-di-O-toluoyl-1'-(3-phenyl)-ribofuranose [(2R,3S,5R)-5-chloro-3-(4-methylbenzoyl)oxyoxolan-2-yl]methyl 4-methylbenzoate 4-Methylbenzoic acid [(2R,3S,5R)-5-chloro-3-[(4-methylphenyl)-oxomethoxy]-2-oxolanyl]methyl ester (2R,3S,5R)-5-chloro-2-(((4-methylbenzoyl)oxy)methyl)tetrahydrofuran-3-yl 4-methylbenzoate
Wiley ID 1747259