| SpectraBase Spectrum ID |
Ap8GxJjjxsp |
| Name |
2,6-Anhydro-1-deoxy-5,7-o-benzylidene-1-nitro-D-glycero-D-gulo-heptitol |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
311.100501884 u |
| Formula |
C14H17NO7 |
| InChI |
InChI=1S/C14H17NO7/c16-11-9(6-15(18)19)21-10-7-20-14(22-13(10)12(11)17)8-4-2-1-3-5-8/h1-5,9-14,16-17H,6-7H2/t9-,10+,11-,12+,13+,14+/m0/s1 |
| InChIKey |
VDZYDQXBRJWDNV-XADZXUCXSA-N |
| Molecular Weight |
311.290 g/mol |
| SMILES |
[C@@]12(O[C@](C3=CC=CC=C3)(OC[C@]2(O[C@@](CN(=O)=O)([C@@]([C@]1(O)[H])(O)[H])[H])[H])[H])[H] |
