| SpectraBase Compound ID | 9jR9YXKp3IQ |
|---|---|
| InChI | InChI=1S/C13H13NO3/c1-2-3-9-17-12(15)10-14-13(16)11-7-5-4-6-8-11/h1,4-8H,3,9-10H2,(H,14,16) |
| InChIKey | IHONWFVYOSYINS-UHFFFAOYSA-N |
| Mol Weight | 231.25 g/mol |
| Molecular Formula | C13H13NO3 |
| Exact Mass | 231.089543 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JIpviYg98dG |
|---|---|
| Name | 2-Benzamidoacetic acid but-3-ynyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.089543280 u |
| Formula | C13H13NO3 |
| InChI | InChI=1S/C13H13NO3/c1-2-3-9-17-12(15)10-14-13(16)11-7-5-4-6-8-11/h1,4-8H,3,9-10H2,(H,14,16) |
| InChIKey | IHONWFVYOSYINS-UHFFFAOYSA-N |
| Molecular Weight | 231.251 g/mol |
| SMILES | C(NCC(=O)OCCC#C)(=O)C1=CC=CC=C1 |