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1,2;5,6-Di-O-(1-methylethylidene)-.alpha.-D-glucofuranosyl-2-chloro-3,3-dimethyl butanoate
SpectraBase Compound ID 4k6L2H0LZp8
InChI InChI=1S/C18H29ClO7/c1-16(2,3)13(19)14(20)22-11-10(9-8-21-17(4,5)24-9)23-15-12(11)25-18(6,7)26-15/h9-13,15H,8H2,1-7H3/t9?,10?,11?,12-,13?,15-/m1/s1
InChIKey HUEWIAPQDIEXMW-ITVWHOQASA-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 HokZxzaWAp0
Name 1,2;5,6-Di-O-(1-methylethylidene)-.alpha.-D-glucofuranosyl-2-chloro-3,3-dimethyl butanoate
Alternate Name(s) 2-Chloro-3,3-dimethyl-butyric 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
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H29ClO7
InChI InChI=1S/C18H29ClO7/c1-16(2,3)13(19)14(20)22-11-10(9-8-21-17(4,5)24-9)23-15-12(11)25-18(6,7)26-15/h9-13,15H,8H2,1-7H3/t9?,10?,11?,12-,13?,15-/m1/s1
InChIKey HUEWIAPQDIEXMW-ITVWHOQASA-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(C(C(C)(C)C)Cl)=O)[H]
SPLASH splash10-0udi-0901000000-c0a262f648466a4c3783
Source of Spectrum QC-6-1928-4
Wiley ID 869047