| SpectraBase Compound ID | 9NSfxsEn1fg |
|---|---|
| InChI | InChI=1S/C11H13NO4/c13-10(14)7-12(8-11(15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16) |
| InChIKey | SZQUPQVVCLFZLC-UHFFFAOYSA-N |
| Mol Weight | 223.23 g/mol |
| Molecular Formula | C11H13NO4 |
| Exact Mass | 223.084458 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | 2f1fyH5JZ4U |
|---|---|
| Name | (Benzylimino)diacetic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 223.084457899 u |
| Formula | C11H13NO4 |
| InChI | InChI=1S/C11H13NO4/c13-10(14)7-12(8-11(15)16)6-9-4-2-1-3-5-9/h1-5H,6-8H2,(H,13,14)(H,15,16) |
| InChIKey | SZQUPQVVCLFZLC-UHFFFAOYSA-N |
| Molecular Weight | 223.228 g/mol |
| SMILES | OC(CN(CC(=O)O)CC1=CC=CC=C1)=O |
| Spectrum/Structure Validation Score (Raman) | 0.988536 |