| SpectraBase Spectrum ID |
J1HKQs5SIJ2 |
| Name |
Trans-1-benzyl-4-hydroxymethyl-3-methylazetidin-2-one |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
205.110278725 u |
| Formula |
C12H15NO2 |
| InChI |
InChI=1S/C12H15NO2/c1-9-11(8-14)13(12(9)15)7-10-5-3-2-4-6-10/h2-6,9,11,14H,7-8H2,1H3/t9-,11-/m1/s1 |
| InChIKey |
BNJGUGAEJLFCTI-MWLCHTKSSA-N |
| Molecular Weight |
205.257 g/mol |
| SMILES |
C1(N([C@@]([C@]1(C)[H])(CO)[H])CC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.887597 |
