| SpectraBase Spectrum ID |
2KGCpsxa1cL |
| Name |
3,5-di-o-Benzyl-6-deoxy-6-iodo-1,2-o-isopropyl-.beta.,L-idofuranose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
510.090318964 u |
| Formula |
C23H27IO5 |
| InChI |
InChI=1S/C23H27IO5/c1-23(2)28-21-20(26-15-17-11-7-4-8-12-17)19(27-22(21)29-23)18(13-24)25-14-16-9-5-3-6-10-16/h3-12,18-22H,13-15H2,1-2H3/t18-,19+,20-,21+,22+/m0/s1 |
| InChIKey |
NVLVNPRMAXUEPH-MLBCHFTJSA-N |
| Molecular Weight |
510.368 g/mol |
| SMILES |
[C@]12([C@](O[C@@]([C@@]2(OCC2=CC=CC=C2)[H])([C@@](OCC2=CC=CC=C2)(CI)[H])[H])(OC(O1)(C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.905693 |
