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D-arabino-Hex-1-enitol, 1,5-anhydro-, 2,3,4-triacetate 6-benzoate
SpectraBase Compound ID IDkijzOACXz
InChI InChI=1S/C19H20O9/c1-11(20)26-16-10-24-15(9-25-19(23)14-7-5-4-6-8-14)17(27-12(2)21)18(16)28-13(3)22/h4-8,10,15,17-18H,9H2,1-3H3/t15-,17-,18-/m1/s1
InChIKey GFLSXWPJLTXTQC-KBAYOESNSA-N
Mol Weight 392.36 g/mol
Molecular Formula C19H20O9
Exact Mass 392.110732 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 21ShIocICf2
Name D-arabino-Hex-1-enitol, 1,5-anhydro-, 2,3,4-triacetate 6-benzoate
Alternate Name(s) 2,3,4-tri-O-acetyl-1,5-anhydro-6-O-benzoyl-D-arabino-hex-1-enitol 2-Acetoxy-3,4-di-O-acetyl-6-O-benzoylglucal
CAS Registry Number 71208-21-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H20O9
InChI InChI=1S/C19H20O9/c1-11(20)26-16-10-24-15(9-25-19(23)14-7-5-4-6-8-14)17(27-12(2)21)18(16)28-13(3)22/h4-8,10,15,17-18H,9H2,1-3H3/t15-,17-,18-/m1/s1
InChIKey GFLSXWPJLTXTQC-KBAYOESNSA-N
Molecular Weight 392.360 g/mol
SMILES C=1([C@]([C@](OC(=O)C)([C@](OC1)(COC(=O)c1ccccc1)[H])[H])(OC(=O)C)[H])OC(=O)C
SPLASH splash10-0a6u-3901000000-3e631a0a2556a4dc56f4
Source of Spectrum KC-1979-242-0
Wiley ID 1365680