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D-arabino-Hexonic acid, 2,5-anhydro-3-deoxy-, methyl ester, 4-(4-methylbenzoate)
SpectraBase Compound ID 9AnZPshOGbO
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-RWMBFGLXSA-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 CmN4w3U1Zsx
Name D-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.-D-erythropentofuranose Methyl 2,5-anhydro-3-deoxy-4-O-(4-methylbenzoyl)-D-arabino-hexonate
CAS Registry Number 79827-66-0
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-RWMBFGLXSA-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 splash10-03xu-1970000000-8514383f869fa87c0d22
Source of Spectrum J-47-196-0
Wiley ID 1296963