![Butanoic acid, 4-[(4-methoxyphenyl)amino]-4-oxo-, methyl ester](/api/spectrum/3d09PDR2mY5/structure.png?h=300&w=458 "Butanoic acid, 4-[(4-methoxyphenyl)amino]-4-oxo-, methyl ester")
| SpectraBase Compound ID | 7dZZxDbuSOi |
|---|---|
| InChI | InChI=1S/C12H15NO4/c1-16-10-5-3-9(4-6-10)13-11(14)7-8-12(15)17-2/h3-6H,7-8H2,1-2H3,(H,13,14) |
| InChIKey | STGKRNDWPSTZMI-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 | 3d09PDR2mY5 |
|---|---|
| Name | Butanoic acid, 4-[(4-methoxyphenyl)amino]-4-oxo-, 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/c1-16-10-5-3-9(4-6-10)13-11(14)7-8-12(15)17-2/h3-6H,7-8H2,1-2H3,(H,13,14) |
| InChIKey | STGKRNDWPSTZMI-UHFFFAOYSA-N |
| Molecular Weight | 237.255 g/mol |
| SMILES | N(C(=O)CCC(=O)OC)C=1C=CC(=CC1)OC |