| SpectraBase Compound ID | Kn8jJTvO1yg |
|---|---|
| InChI | InChI=1S/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14) |
| InChIKey | NSTPXGARCQOSAU-UHFFFAOYSA-N |
| Mol Weight | 193.2 g/mol |
| Molecular Formula | C10H11NO3 |
| Exact Mass | 193.073893 g/mol |
| SpectraBase Spectrum ID | GZuTSZ5Zjp8 |
|---|---|
| Name | dl-N-Formyl-3-phenylalanine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 193.073893215 u |
| Formula | C10H11NO3 |
| InChI | InChI=1S/C10H11NO3/c12-7-11-9(10(13)14)6-8-4-2-1-3-5-8/h1-5,7,9H,6H2,(H,11,12)(H,13,14) |
| InChIKey | NSTPXGARCQOSAU-UHFFFAOYSA-N |
| SMILES | OC(C(CC1=CC=CC=C1)NC=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.963852 |