| SpectraBase Compound ID | LvmcAVBhb5b |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-16-12(15)8-4-7-11(14)9-5-2-3-6-10(9)13/h2-3,5-6H,4,7-8,13H2,1H3 |
| InChIKey | ZUMULXMHEGVBJS-UHFFFAOYSA-N |
| Mol Weight | 221.26 g/mol |
| Molecular Formula | C12H15NO3 |
| Exact Mass | 221.105193 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4I21A7XOb7u |
|---|---|
| Name | Methyl 4-(2'-aminobenzoyl)butanoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 221.105193344 u |
| Formula | C12H15NO3 |
| InChI | InChI=1S/C12H15NO3/c1-16-12(15)8-4-7-11(14)9-5-2-3-6-10(9)13/h2-3,5-6H,4,7-8,13H2,1H3 |
| InChIKey | ZUMULXMHEGVBJS-UHFFFAOYSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | C=1(C(=O)CCCC(=O)OC)C(N)=CC=CC1 |