| SpectraBase Compound ID | 2ClTk8EtKB7 |
|---|---|
| InChI | InChI=1S/C12H15NO4/c1-8(12(15)17-3)13-11(14)9-5-4-6-10(7-9)16-2/h4-8H,1-3H3,(H,13,14) |
| InChIKey | LDWSXTOSDPJTCB-UHFFFAOYSA-N |
| Mol Weight | 237.25 g/mol |
| Molecular Formula | C12H15NO4 |
| Exact Mass | 237.100108 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HZzUYQPDrPU |
|---|---|
| Name | L-Alanine, N-(m-anisoyl)-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 237.100107963 u |
| Formula | C12H15NO4 |
| InChI | InChI=1S/C12H15NO4/c1-8(12(15)17-3)13-11(14)9-5-4-6-10(7-9)16-2/h4-8H,1-3H3,(H,13,14) |
| InChIKey | LDWSXTOSDPJTCB-UHFFFAOYSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | CC(NC(C1=CC(=CC=C1)OC)=O)C(=O)OC |