| SpectraBase Spectrum ID |
7BqcS3DTclI |
| Name |
2,5-Anhydro-2,5-imino-D-mannitol |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
163.084457899 u |
| Formula |
C6H13NO4 |
| InChI |
InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| InChIKey |
PFYHYHZGDNWFIF-KVTDHHQDSA-N |
| Molecular Weight |
163.173 g/mol |
| SMILES |
C(O)[C@@]1([C@@](O)([C@](O)([C@@](CO)(N1)[H])[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.879097 |
