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(3,5-di-o-Benzoyl-2-deoxy-.alpha.,D-erythro-pentofuranosyl)-2,2-difluoro-1-phenylethanone
SpectraBase Compound ID ES3TLNToiLC
InChI InChI=1S/C27H22F2O6/c28-27(29,24(30)18-10-4-1-5-11-18)23-16-21(35-26(32)20-14-8-3-9-15-20)22(34-23)17-33-25(31)19-12-6-2-7-13-19/h1-15,21-23H,16-17H2/t21-,22+,23-/m0/s1
InChIKey MWIKRGWPACBCAF-ZRBLBEILSA-N
Mol Weight 480.46 g/mol
Molecular Formula C27H22F2O6
Exact Mass 480.138445 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J6eZC0B25V5
Name (3,5-di-o-Benzoyl-2-deoxy-.alpha.,D-erythro-pentofuranosyl)-2,2-difluoro-1-phenylethanone
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 480.138444748 u
Formula C27H22F2O6
InChI InChI=1S/C27H22F2O6/c28-27(29,24(30)18-10-4-1-5-11-18)23-16-21(35-26(32)20-14-8-3-9-15-20)22(34-23)17-33-25(31)19-12-6-2-7-13-19/h1-15,21-23H,16-17H2/t21-,22+,23-/m0/s1
InChIKey MWIKRGWPACBCAF-ZRBLBEILSA-N
Molecular Weight 480.464 g/mol
SMILES C([C@]1(O[C@](COC(=O)C=2C=CC=CC2)([C@](C1)(OC(=O)C1=CC=CC=C1)[H])[H])[H])(C(=O)C1=CC=CC=C1)(F)F