![Methyl 2-[(3-methylbutanoyl)amino]benzoate](/api/spectrum/CpFDc1JjXSE/structure.png?h=300&w=458 "Methyl 2-[(3-methylbutanoyl)amino]benzoate")
| SpectraBase Compound ID | GiAszYLcgoE |
|---|---|
| InChI | InChI=1S/C13H17NO3/c1-9(2)8-12(15)14-11-7-5-4-6-10(11)13(16)17-3/h4-7,9H,8H2,1-3H3,(H,14,15) |
| InChIKey | MQTXQBOLCSEIKC-UHFFFAOYSA-N |
| Mol Weight | 235.28 g/mol |
| Molecular Formula | C13H17NO3 |
| Exact Mass | 235.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CpFDc1JjXSE |
|---|---|
| Name | Methyl 2-[(3-methylbutanoyl)amino]benzoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 235.120843408 u |
| Formula | C13H17NO3 |
| InChI | InChI=1S/C13H17NO3/c1-9(2)8-12(15)14-11-7-5-4-6-10(11)13(16)17-3/h4-7,9H,8H2,1-3H3,(H,14,15) |
| InChIKey | MQTXQBOLCSEIKC-UHFFFAOYSA-N |
| Molecular Weight | 235.283 g/mol |
| SMILES | N(C=1C(C(=O)OC)=CC=CC1)C(=O)CC(C)C |