| SpectraBase Spectrum ID |
HVuTf8duuAf |
| Name |
(3R,4S)-3-(2-Hydroxyethyl)-4-(2-keto-2-methoxy-ethyl)piperidine-1-carboxylic acid benzyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
335.173272904 u |
| Formula |
C18H25NO5 |
| InChI |
InChI=1S/C18H25NO5/c1-23-17(21)11-15-7-9-19(12-16(15)8-10-20)18(22)24-13-14-5-3-2-4-6-14/h2-6,15-16,20H,7-13H2,1H3/t15-,16-/m0/s1 |
| InChIKey |
UUWBHEBZXSJREG-HOTGVXAUSA-N |
| Molecular Weight |
335.400 g/mol |
| SMILES |
C(N1C[C@](CCO)([C@@](CC1)(CC(=O)OC)[H])[H])(OCC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.837484 |
