| SpectraBase Compound ID | 747QkDuwVXu |
|---|---|
| InChI | InChI=1S/C9H9NO4/c11-8(12)5-10-7-3-1-6(2-4-7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14) |
| InChIKey | YJEYSNOXMPDLJC-UHFFFAOYSA-N |
| Mol Weight | 195.17 g/mol |
| Molecular Formula | C9H9NO4 |
| Exact Mass | 195.053158 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | AGWD4v8aGav |
|---|---|
| Name | N-(p-Carboxyphenyl)glycine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.053157770 u |
| Formula | C9H9NO4 |
| InChI | InChI=1S/C9H9NO4/c11-8(12)5-10-7-3-1-6(2-4-7)9(13)14/h1-4,10H,5H2,(H,11,12)(H,13,14) |
| InChIKey | YJEYSNOXMPDLJC-UHFFFAOYSA-N |
| Molecular Weight | 195.174 g/mol |
| SMILES | C1(=CC=C(C=C1)NCC(O)=O)C(O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.993321 |