| SpectraBase Compound ID | FFHQSVAhri8 |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-8(2)10(12(15)16)13-11(14)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,14)(H,15,16) |
| InChIKey | MIYQNOPLWKCHED-UHFFFAOYSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C12H15NO3 |
| Exact Mass | 221.105193 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | K5Ys98H78ER |
|---|---|
| Name | N-Benzoyl-dl-valine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.105193344 u |
| Formula | C12H15NO3 |
| InChI | InChI=1S/C12H15NO3/c1-8(2)10(12(15)16)13-11(14)9-6-4-3-5-7-9/h3-8,10H,1-2H3,(H,13,14)(H,15,16) |
| InChIKey | MIYQNOPLWKCHED-UHFFFAOYSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | N(C(C1=CC=CC=C1)=O)C(C(O)=O)C(C)C |
| Spectrum/Structure Validation Score (Raman) | 0.961491 |