| SpectraBase Compound ID | Ko5tccfcefY |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-9(2)12(13(16)17)14-11(15)8-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,15)(H,16,17) |
| InChIKey | FJGOZOLLBLTSIJ-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
Raman Spectrum
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| SpectraBase Spectrum ID | GVSNlUAXkPU |
|---|---|
| Name | D-N-(Phenylacetyl)valine |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-9(2)12(13(16)17)14-11(15)8-10-6-4-3-5-7-10/h3-7,9,12H,8H2,1-2H3,(H,14,15)(H,16,17) |
| InChIKey | FJGOZOLLBLTSIJ-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | OC(C(C(C)C)NC(CC=1C=CC=CC1)=O)=O |
| Spectrum/Structure Validation Score (Raman) | 0.958491 |