![Methyl (S)-[N-formyl-N-phenyl-2-amino-3-methyl]butanoate](/api/spectrum/LEyuZuBP7Si/structure.png?h=300&w=458 "Methyl (S)-[N-formyl-N-phenyl-2-amino-3-methyl]butanoate")
| SpectraBase Compound ID | 9xBE7HcYBgp |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-10(2)12(13(16)17-3)14(9-15)11-7-5-4-6-8-11/h4-10,12H,1-3H3/t12-/m0/s1 |
| InChIKey | YQQMEDRQGBCFIB-LBPRGKRZSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LEyuZuBP7Si |
|---|---|
| Name | Methyl (S)-[N-formyl-N-phenyl-2-amino-3-methyl]butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-10(2)12(13(16)17-3)14(9-15)11-7-5-4-6-8-11/h4-10,12H,1-3H3/t12-/m0/s1 |
| InChIKey | YQQMEDRQGBCFIB-LBPRGKRZSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | [C@](N(C=O)C=1C=CC=CC1)(C(=O)OC)(C(C)C)[H] |