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L-arabino-Hexonic acid, 2,5-anhydro-3-deoxy-, methyl ester, 4-(4-methylbenzoate)
SpectraBase Compound ID 7IQUtpTMzKa
InChI InChI=1S/C15H18O6/c1-9-3-5-10(6-4-9)14(17)21-11-7-12(15(18)19-2)20-13(11)8-16/h3-6,11-13,16H,7-8H2,1-2H3/t11-,12+,13+/m0/s1
InChIKey XLWOJDCPQCETTL-YNEHKIRRSA-N
Mol Weight 294.3 g/mol
Molecular Formula C15H18O6
Exact Mass 294.110338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4qiv9rheh9h
Name L-arabino-Hexonic acid, 2,5-anhydro-3-deoxy-, methyl ester, 4-(4-methylbenzoate)
Alternate Name(s) 1-(carbomethoxy)-2-deoxy-3-O-p-toluoyl-.alpha.-L-erythropentofuranose Methyl 2,5-anhydro-3-deoxy-4-O-(4-methylbenzoyl)-D-ribo-hexonate
CAS Registry Number 79827-77-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C15H18O6
InChI InChI=1S/C15H18O6/c1-9-3-5-10(6-4-9)14(17)21-11-7-12(15(18)19-2)20-13(11)8-16/h3-6,11-13,16H,7-8H2,1-2H3/t11-,12+,13+/m0/s1
InChIKey XLWOJDCPQCETTL-YNEHKIRRSA-N
Molecular Weight 294.303 g/mol
SMILES OC[C@@]1([C@@](OC(c2ccc(cc2)C)=O)(C[C@@](O1)(C(=O)OC)[H])[H])[H]
SPLASH splash10-014l-2910000000-4349a59e9a27987443f3
Source of Spectrum J-47-197-0
Wiley ID 1296964