| SpectraBase Spectrum ID |
1SbTXcjzfhZ |
| Name |
1,3,4,5-Tetraacetyl-D-glucoheptulosan |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
378.116211517 u |
| Formula |
C15H22O11 |
| InChI |
InChI=1S/C15H22O11/c1-7(17)22-6-15(21)14(25-10(4)20)13(24-9(3)19)12(23-8(2)18)11(5-16)26-15/h11-14,16,21H,5-6H2,1-4H3/t11-,12-,13+,14-,15+/m1/s1 |
| InChIKey |
LNURXUFJAAWFFL-QMIVOQANSA-N |
| Molecular Weight |
378.330 g/mol |
| SMILES |
[C@@]1([C@](O[C@]([C@@]([C@]1(OC(C)=O)[H])(OC(C)=O)[H])(COC(C)=O)O)(CO)[H])(OC(C)=O)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.980873 |
