| SpectraBase Spectrum ID |
L3ZKUMRinsS |
| Name |
Dimethyl 2-(benzylamino)pentanedioate |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
265.131408092 u |
| Formula |
C14H19NO4 |
| InChI |
InChI=1S/C14H19NO4/c1-18-13(16)9-8-12(14(17)19-2)15-10-11-6-4-3-5-7-11/h3-7,12,15H,8-10H2,1-2H3 |
| InChIKey |
PNGIIDSKKNKSQH-UHFFFAOYSA-N |
| Molecular Weight |
265.309 g/mol |
| SMILES |
C(C(CCC(=O)OC)NCC=1C=CC=CC1)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.946846 |
