| SpectraBase Spectrum ID |
IJX5pwSltCD |
| Name |
6-Bromo-6-deoxy-2,3,4-tri-o-methyl-6-phenyl-.alpha.-D-glucopyranose |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
360.057236771 u |
| Formula |
C15H21BrO5 |
| InChI |
InChI=1S/C15H21BrO5/c1-18-12-11(10(16)9-7-5-4-6-8-9)21-15(17)14(20-3)13(12)19-2/h4-8,10-15,17H,1-3H3/t10?,11-,12-,13+,14-,15+/m1/s1 |
| InChIKey |
IDPXJCDZRBCONW-YQYZCKNZSA-N |
| Molecular Weight |
361.232 g/mol |
| SMILES |
[C@]1(O)([C@](OC)([C@@](OC)([C@](OC)([C@](O1)(C(C=1C=CC=CC1)Br)[H])[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.94359 |
