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.beta.-L-Allofuranuronic acid, 2,3-O-(1-methylethylidene)-, methyl ester, 5-(3-chlorobenzoate)
SpectraBase Compound ID ITIime9LLLY
InChI InChI=1S/C17H19ClO8/c1-17(2)25-11-10(23-16(21)13(11)26-17)12(15(20)22-3)24-14(19)8-5-4-6-9(18)7-8/h4-7,10-13,16,21H,1-3H3/t10-,11+,12-,13+,16+/m1/s1
InChIKey FNHMNWONAJJZQN-CRQFQMBKSA-N
Mol Weight 386.78 g/mol
Molecular Formula C17H19ClO8
Exact Mass 386.076845 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F3CP8MPsyyf
Name .beta.-L-Allofuranuronic acid, 2,3-O-(1-methylethylidene)-, methyl ester, 5-(3-chlorobenzoate)
Alternate Name(s) Furo[3,4-d]-1,3-dioxole, .beta.-L-mannofuranuronic acid deriv. (-)-Methyl 5-O-(3-chlorobenzoyl)-2,3-O-isopropylidene-.beta.-L-allofuranuronate Methyl 5-O-(3-chlorobenzoyl)-2,3-O-(1-methylethylidene)-.beta.-L-allofuranuronate
CAS Registry Number 123155-52-2
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H19ClO8
InChI InChI=1S/C17H19ClO8/c1-17(2)25-11-10(23-16(21)13(11)26-17)12(15(20)22-3)24-14(19)8-5-4-6-9(18)7-8/h4-7,10-13,16,21H,1-3H3/t10-,11+,12-,13+,16+/m1/s1
InChIKey FNHMNWONAJJZQN-CRQFQMBKSA-N
Molecular Weight 386.784 g/mol
SMILES O[C@]1(O[C@]([C@]2([C@@]1(OC(O2)(C)C)[H])[H])([C@@](OC(c1cc(Cl)ccc1)=O)(C(=O)OC)[H])[H])[H]
SPLASH splash10-000i-6901000000-9d4ffdcff05f68851e93
Source of Spectrum H-72-282-0
Wiley ID 1362445