| SpectraBase Compound ID | 8B5wlEpTZR1 |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-9(2)11(13(16)17)14(3)12(15)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,16,17) |
| InChIKey | SGCSYTYLPOGVQI-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 | Aq1fvc7yfeT |
|---|---|
| Name | N-Benzoyl-L-N-methylvaline |
| 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)11(13(16)17)14(3)12(15)10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H,16,17) |
| InChIKey | SGCSYTYLPOGVQI-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | OC(C(N(C(C1=CC=CC=C1)=O)C)C(C)C)=O |
| Spectrum/Structure Validation Score (Raman) | 0.973958 |