| SpectraBase Spectrum ID |
H07pbmfFeqR |
| Name |
2,3,5-tri-o-Acetyl-1-deoxy-4-o-formyl-1,1-dibromo-D-arabinitol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
445.921193467 u |
| Formula |
C12H16Br2O8 |
| InChI |
InChI=1S/C12H16Br2O8/c1-6(16)19-4-9(20-5-15)10(21-7(2)17)11(12(13)14)22-8(3)18/h5,9-12H,4H2,1-3H3/t9-,10-,11+/m1/s1 |
| InChIKey |
IKTCRINNQMYBSJ-MXWKQRLJSA-N |
| Molecular Weight |
448.060 g/mol |
| SMILES |
C([C@@](OC(=O)C)([C@](OC(=O)C)([C@](OC=O)(COC(=O)C)[H])[H])[H])(Br)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.978089 |
