| SpectraBase Spectrum ID |
JRekYmK0kHe |
| Name |
Methyl N-benzyl-2-(propen-2-yl)azetidin-4-one-3-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
259.120843408 u |
| Formula |
C15H17NO3 |
| InChI |
InChI=1S/C15H17NO3/c1-10(2)13-12(15(18)19-3)14(17)16(13)9-11-7-5-4-6-8-11/h4-8,12-13H,1,9H2,2-3H3/t12-,13-/m0/s1 |
| InChIKey |
YOKWZFDHFSVXND-STQMWFEESA-N |
| Molecular Weight |
259.305 g/mol |
| SMILES |
C1(N([C@]([C@@]1(C(=O)OC)[H])(C(=C)C)[H])CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.85519 |
