| SpectraBase Spectrum ID |
6yumhAwndX0 |
| Name |
.alpha.-D-Galactopyranoside, 1-methoxy-1-methylethyl 6-bromo-6-deoxy-3,4-o-(1-methylethylidene)- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
354.067801455 u |
| Formula |
C13H23BrO6 |
| InChI |
InChI=1S/C13H23BrO6/c1-12(2,16-5)20-11-8(15)10-9(7(6-14)17-11)18-13(3,4)19-10/h7-11,15H,6H2,1-5H3/t7-,8-,9+,10-,11-/m1/s1 |
| InChIKey |
YHPKEMBNKPVZPQ-KAMPLNKDSA-N |
| Molecular Weight |
355.225 g/mol |
| SMILES |
[C@@]12([C@@](OC(O2)(C)C)([C@@](CBr)(O[C@@]([C@@]1(O)[H])(OC(OC)(C)C)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.944854 |
