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1,2;5,6-Di-O-(1-methylethylidene)-.alpha.-D-glucofuranosyloxy-2-chloro hexanoate
SpectraBase Compound ID FRHLW5bYowT
InChI InChI=1S/C18H29ClO7/c1-6-7-8-10(19)15(20)22-13-12(11-9-21-17(2,3)24-11)23-16-14(13)25-18(4,5)26-16/h10-14,16H,6-9H2,1-5H3/t10?,11?,12?,13?,14-,16-/m1/s1
InChIKey VPHWGGDRAWJCNI-JXTOMRIRSA-N
Mol Weight 392.88 g/mol
Molecular Formula C18H29ClO7
Exact Mass 392.160181 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GLzdcCz4A0Z
Name 1,2;5,6-Di-O-(1-methylethylidene)-.alpha.-D-glucofuranosyloxy-2-chloro hexanoate
Alternate Name(s) 2-Chloro-hexanoic acid 5-(2,2-dimethyl-[1,3]dioxolan-4-yl)-2,2-dimethyl-tetrahydro-furo[2,3-d][1,3]dioxol-6-yl ester
Comments Less than 3 mono-isotopic peaks
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Formula C18H29ClO7
InChI InChI=1S/C18H29ClO7/c1-6-7-8-10(19)15(20)22-13-12(11-9-21-17(2,3)24-11)23-16-14(13)25-18(4,5)26-16/h10-14,16H,6-9H2,1-5H3/t10?,11?,12?,13?,14-,16-/m1/s1
InChIKey VPHWGGDRAWJCNI-JXTOMRIRSA-N
Molecular Weight 392.876 g/mol
SMILES [C@]12(C(C(C3OC(C)(C)OC3)O[C@@]1(OC(O2)(C)C)[H])OC(=O)C(Cl)CCCC)[H]
SPLASH splash10-0udi-0904000000-f43d574505659941ab7b
Source of Spectrum QC-6-1927-4
Wiley ID 869048