| SpectraBase Spectrum ID |
BjZBJlngEFU |
| Name |
Benzeneacetic acid, .alpha.-amino-4-carboxy-, N-methyl, dimethyl ether |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
237.100107963 u |
| Formula |
C12H15NO4 |
| InChI |
InChI=1S/C12H15NO4/c1-13-10(12(15)17-3)8-4-6-9(7-5-8)11(14)16-2/h4-7,10,13H,1-3H3 |
| InChIKey |
YCFRXWVTRNZBHZ-UHFFFAOYSA-N |
| Molecular Weight |
237.255 g/mol |
| SMILES |
C1(=CC=C(C=C1)C(=O)OC)C(C(OC)=O)NC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.96833 |
