| SpectraBase Spectrum ID |
2Tn6msHzSr2 |
| Name |
(Phenylmethyl) 2-oxidanylidenepyrrolidine-1-carboxylate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
219.089543280 u |
| Formula |
C12H13NO3 |
| InChI |
InChI=1S/C12H13NO3/c14-11-7-4-8-13(11)12(15)16-9-10-5-2-1-3-6-10/h1-3,5-6H,4,7-9H2 |
| InChIKey |
DVMZKGUWEAXMRT-UHFFFAOYSA-N |
| Molecular Weight |
219.240 g/mol |
| SMILES |
C(N1C(=O)CCC1)(OCC=1C=CC=CC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.967589 |
