| SpectraBase Spectrum ID |
AlNiqvWz5T2 |
| Name |
(3R,4S,5S)-Piperidine-3,4,5-triol, N-acetyl-, triacetate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
301.116151949 u |
| Formula |
C13H19NO7 |
| InChI |
InChI=1S/C13H19NO7/c1-7(15)14-5-11(19-8(2)16)13(21-10(4)18)12(6-14)20-9(3)17/h11-13H,5-6H2,1-4H3/t11-,12+,13- |
| InChIKey |
YTZXOBZESLIQJX-CLLJXQQHSA-N |
| Molecular Weight |
301.295 g/mol |
| SMILES |
C1N(C[C@]([C@]([C@]1([H])OC(=O)C)([H])OC(=O)C)([H])OC(C)=O)C(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.984421 |
