| SpectraBase Compound ID | BrU6VcLV4f5 |
|---|---|
| InChI | InChI=1S/C12H15NO4/c1-8(12(15)17-3)13-11(14)9-6-4-5-7-10(9)16-2/h4-8H,1-3H3,(H,13,14) |
| InChIKey | KSFXMCSADJCELR-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 | H5VYBWjV9QD |
|---|---|
| Name | L-Alanine, N-(o-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)9-6-4-5-7-10(9)16-2/h4-8H,1-3H3,(H,13,14) |
| InChIKey | KSFXMCSADJCELR-UHFFFAOYSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | C1(=C(C=CC=C1)OC)C(NC(C(OC)=O)C)=O |