| SpectraBase Compound ID | LTdlomxE5Ch |
|---|---|
| InChI | InChI=1S/C12H15NO3/c1-8(2)13-11(14)9-4-6-10(7-5-9)12(15)16-3/h4-8H,1-3H3,(H,13,14) |
| InChIKey | YDJNKBLBCLNXJY-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 | 4U3pilDnlXG |
|---|---|
| Name | Methyl 4-(isopropylcarbamoyl)benzoate |
| 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/c1-8(2)13-11(14)9-4-6-10(7-5-9)12(15)16-3/h4-8H,1-3H3,(H,13,14) |
| InChIKey | YDJNKBLBCLNXJY-UHFFFAOYSA-N |
| Molecular Weight | 221.256 g/mol |
| SMILES | C(C1=CC=C(C=C1)C(NC(C)C)=O)(=O)OC |