| SpectraBase Spectrum ID |
49QMVqu0L6G |
| Name |
(1S,4S,5R)-4-Hydroxy-2,6-diazabicyclo[3.3,0]octane |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
128.094963013 u |
| Formula |
C6H12N2O |
| InChI |
InChI=1S/C6H12N2O/c9-5-3-8-4-1-2-7-6(4)5/h4-9H,1-3H2/t4-,5-,6+/m0/s1 |
| InChIKey |
COQZVGVNCMEHRR-HCWXCVPCSA-N |
| Molecular Weight |
128.175 g/mol |
| SMILES |
[C@]12(NCC[C@@]1(NC[C@@]2(O)[H])[H])[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.895904 |
![(1S,4S,5R)-4-Hydroxy-2,6-diazabicyclo[3.3,0]octane](/api/spectrum/49QMVqu0L6G/structure.png?h=300&w=458 "(1S,4S,5R)-4-Hydroxy-2,6-diazabicyclo[3.3,0]octane")
