| SpectraBase Spectrum ID |
7K5rt9wPBMa |
| Name |
(5R)-1-o-Benzyl-5-bromo-5-deoxy-2-o-formyl-5-iodo-3,4-o-isopropylidene-D-arabinitol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
497.953881739 u |
| Formula |
C16H20BrIO5 |
| InChI |
InChI=1S/C16H20BrIO5/c1-16(2)22-13(14(23-16)15(17)18)12(21-10-19)9-20-8-11-6-4-3-5-7-11/h3-7,10,12-15H,8-9H2,1-2H3/t12-,13+,14+,15-/m1/s1 |
| InChIKey |
QFJBGHRJCLTNKU-CBBWQLFWSA-N |
| Molecular Weight |
499.139 g/mol |
| SMILES |
C(OCC=1C=CC=CC1)[C@@](OC=O)([C@@]1(OC(O[C@@]1([C@@](I)(Br)[H])[H])(C)C)[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.886443 |
