| SpectraBase Compound ID | A3HvnrBlMW6 |
|---|---|
| InChI | InChI=1S/C14H17NO3/c1-10(2)9-12(14(17)18-3)15-13(16)11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3,(H,15,16) |
| InChIKey | DOWBHFNFFVDPPT-UHFFFAOYSA-N |
| Mol Weight | 247.29 g/mol |
| Molecular Formula | C14H17NO3 |
| Exact Mass | 247.120843 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4FQtQtPMcRm |
|---|---|
| Name | Methyl 2-benzamido-4-methylpent-4-enoate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 247.120843408 u |
| Formula | C14H17NO3 |
| InChI | InChI=1S/C14H17NO3/c1-10(2)9-12(14(17)18-3)15-13(16)11-7-5-4-6-8-11/h4-8,12H,1,9H2,2-3H3,(H,15,16) |
| InChIKey | DOWBHFNFFVDPPT-UHFFFAOYSA-N |
| Molecular Weight | 247.294 g/mol |
| SMILES | C(NC(C(=O)OC)CC(=C)C)(=O)C=1C=CC=CC1 |