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.beta.-L-Allofuranosiduronic acid, methyl 2,3-O-(1-methylethylidene)-, methyl ester, 3-chlorobenzoate
SpectraBase Compound ID rkQvUNiOGf
InChI InChI=1S/C18H21ClO8/c1-18(2)26-12-11(25-17(23-4)14(12)27-18)13(16(21)22-3)24-15(20)9-6-5-7-10(19)8-9/h5-8,11-14,17H,1-4H3/t11-,12+,13-,14+,17+/m1/s1
InChIKey UBAFMXHXVWVEHO-RBUCKAEESA-N
Mol Weight 400.81 g/mol
Molecular Formula C18H21ClO8
Exact Mass 400.092495 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BY1I34HdrhF
Name .beta.-L-Allofuranosiduronic acid, methyl 2,3-O-(1-methylethylidene)-, methyl ester, 3-chlorobenzoate
CAS Registry Number 123155-54-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H21ClO8
InChI InChI=1S/C18H21ClO8/c1-18(2)26-12-11(25-17(23-4)14(12)27-18)13(16(21)22-3)24-15(20)9-6-5-7-10(19)8-9/h5-8,11-14,17H,1-4H3/t11-,12+,13-,14+,17+/m1/s1
InChIKey UBAFMXHXVWVEHO-RBUCKAEESA-N
Molecular Weight 400.811 g/mol
SMILES [C@]1([C@]2([C@](OC(O2)(C)C)([C@](O1)(OC)[H])[H])[H])([C@@](OC(c1cc(Cl)ccc1)=O)(C(=O)OC)[H])[H]
SPLASH splash10-000i-6901000000-2e91dda026028ceaebd9
Source of Spectrum H-72-282-0
Synonyms Furo[3,4-d]-1,3-dioxole, .beta.-L-allofuranosiduronic acid deriv. (+)-Methyl[methyl 5-O-(3-chlorobenzoyl)-2,3-O-isopropylidene-.beta.-L-allofuranosid]uronate Dimethyl 5-O-(3-chlorobenzoyl)-2,3-O-(1-methylethylidene)-.beta.-L-allofuranosiduronate
Wiley ID 1369244