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.alpha.-D-Glycero-hex-2-enopyranosid-4-ulose, methyl 2-deoxy-, dibenzoate

View entire compound with spectra: 1 NMR, and 1 MS (GC)

.alpha.-D-Glycero-hex-2-enopyranosid-4-ulose, methyl 2-deoxy-, dibenzoate
SpectraBase Compound ID BUPLPzNpHz1
InChI InChI=1S/C21H18O7/c1-25-18-12-16(28-21(24)15-10-6-3-7-11-15)19(22)17(27-18)13-26-20(23)14-8-4-2-5-9-14/h2-12,17-18H,13H2,1H3
InChIKey OHULVMOXKLLMJR-UHFFFAOYSA-N
Mol Weight 382.37 g/mol
Molecular Formula C21H18O7
Exact Mass 382.105253 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4xy2SaUK1Fj
Name .alpha.-D-Glycero-hex-2-enopyranosid-4-ulose, methyl 2-deoxy-, dibenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 382.105252913 u
Formula C21H18O7
InChI InChI=1S/C21H18O7/c1-25-18-12-16(28-21(24)15-10-6-3-7-11-15)19(22)17(27-18)13-26-20(23)14-8-4-2-5-9-14/h2-12,17-18H,13H2,1H3
InChIKey OHULVMOXKLLMJR-UHFFFAOYSA-N
Molecular Weight 382.368 g/mol
SMILES C1(=CC(OC)OC(C1=O)COC(=O)C=1C=CC=CC1)OC(=O)C=1C=CC=CC1