| SpectraBase Spectrum ID |
JQvWyH3KUN |
| Name |
2-(3,4,6-tri-o-Benzyl-2-deoxy-.alpha.,D-arabino-hexopyranosyl)-2,2-difluoro-1-phenylethanone |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
572.237430516 u |
| Formula |
C35H34F2O5 |
| InChI |
InChI=1S/C35H34F2O5/c36-35(37,34(38)29-19-11-4-12-20-29)32-21-30(40-23-27-15-7-2-8-16-27)33(41-24-28-17-9-3-10-18-28)31(42-32)25-39-22-26-13-5-1-6-14-26/h1-20,30-33H,21-25H2/t30-,31-,32-,33+/m1/s1 |
| InChIKey |
DIONGZVQOLCGNR-IGUZCVLDSA-N |
| Molecular Weight |
572.649 g/mol |
| SMILES |
C([C@@]1(O[C@](COCC=2C=CC=CC2)([C@]([C@@](C1)(OCC=1C=CC=CC1)[H])(OCC1=CC=CC=C1)[H])[H])[H])(C(=O)C=1C=CC=CC1)(F)F |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.846402 |
