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5-Deoxy-5,5-difluoro-2-(formyloxy)-5-iodo-1,3,4-tris(benzyloxy)-D-arabinitol

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

5-Deoxy-5,5-difluoro-2-(formyloxy)-5-iodo-1,3,4-tris(benzyloxy)-D-arabinitol
SpectraBase Compound ID 2M96TA3VjpI
InChI InChI=1S/C27H27F2IO5/c28-27(29,30)26(34-18-23-14-8-3-9-15-23)25(33-17-22-12-6-2-7-13-22)24(35-20-31)19-32-16-21-10-4-1-5-11-21/h1-15,20,24-26H,16-19H2/t24-,25+,26+/m1/s1
InChIKey CWRFUFOMEXUEGQ-ZNZIZOMTSA-N
Mol Weight 596.41 g/mol
Molecular Formula C27H27F2IO5
Exact Mass 596.087125 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6KvRbAWWX1U
Name 5-Deoxy-5,5-difluoro-2-(formyloxy)-5-iodo-1,3,4-tris(benzyloxy)-D-arabinitol
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 596.087125290 u
Formula C27H27F2IO5
InChI InChI=1S/C27H27F2IO5/c28-27(29,30)26(34-18-23-14-8-3-9-15-23)25(33-17-22-12-6-2-7-13-22)24(35-20-31)19-32-16-21-10-4-1-5-11-21/h1-15,20,24-26H,16-19H2/t24-,25+,26+/m1/s1
InChIKey CWRFUFOMEXUEGQ-ZNZIZOMTSA-N
Molecular Weight 596.409 g/mol
SMILES [C@](C(F)(I)F)([C@@](OCC1=CC=CC=C1)([C@](OC=O)(COCC=1C=CC=CC1)[H])[H])(OCC1=CC=CC=C1)[H]