| SpectraBase Spectrum ID |
4knIojP5zb0 |
| Name |
[3-(Methoxycarbonylmethyl-carbamoyl)-benzoylamino]-acetic acid, methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
308.100836237 u |
| Formula |
C14H16N2O6 |
| InChI |
InChI=1S/C14H16N2O6/c1-21-11(17)7-15-13(19)9-4-3-5-10(6-9)14(20)16-8-12(18)22-2/h3-6H,7-8H2,1-2H3,(H,15,19)(H,16,20) |
| InChIKey |
LVLDXANXESUGTA-UHFFFAOYSA-N |
| Molecular Weight |
308.290 g/mol |
| SMILES |
C(C1=CC(C(NCC(=O)OC)=O)=CC=C1)(NCC(=O)OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.971078 |
![[3-(Methoxycarbonylmethyl-carbamoyl)-benzoylamino]-acetic acid, methyl ester](/api/spectrum/4knIojP5zb0/structure.png?h=300&w=458 "[3-(Methoxycarbonylmethyl-carbamoyl)-benzoylamino]-acetic acid, methyl ester")
