| SpectraBase Compound ID | 3J2mok6vwAZ |
|---|---|
| InChI | InChI=1S/C13H17NO2/c1-10(2)12(13(15)16-3)14-9-11-7-5-4-6-8-11/h4-10,12H,1-3H3/b14-9+/t12-/m0/s1 |
| InChIKey | SWJMYFGBQCCKMR-IGVUGNCQSA-N |
| Mol Weight | 219.28 g/mol |
| Molecular Formula | C13H17NO2 |
| Exact Mass | 219.125929 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3tjvc5ruybb |
|---|---|
| Name | Methyl N-benzylidene-(S)-valinate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 219.125928789 u |
| Formula | C13H17NO2 |
| InChI | InChI=1S/C13H17NO2/c1-10(2)12(13(15)16-3)14-9-11-7-5-4-6-8-11/h4-10,12H,1-3H3/b14-9+/t12-/m0/s1 |
| InChIKey | SWJMYFGBQCCKMR-IGVUGNCQSA-N |
| Molecular Weight | 219.284 g/mol |
| SMILES | [C@](\N=C\C1=CC=CC=C1)(C(=O)OC)(C(C)C)[H] |