![2-cyano-3-[(hexahydro-2-oxo-1H-azepin-3-yl)amino]acrylic acid, ethyl ester](/api/spectrum/AdvgegzSkMd/structure.png?h=300&w=458 "2-cyano-3-[(hexahydro-2-oxo-1H-azepin-3-yl)amino]acrylic acid, ethyl ester")
| SpectraBase Compound ID | Ba47ygpumiy |
|---|---|
| InChI | InChI=1S/C12H17N3O3/c1-2-18-12(17)9(7-13)8-15-10-5-3-4-6-14-11(10)16/h8,10,15H,2-6H2,1H3,(H,14,16) |
| InChIKey | STXWFRGKRWKVHA-UHFFFAOYSA-N |
| Mol Weight | 251.29 g/mol |
| Molecular Formula | C12H17N3O3 |
| Exact Mass | 251.126991 g/mol |
1H Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AdvgegzSkMd |
|---|---|
| Name | 2-cyano-3-[(hexahydro-2-oxo-1H-azepin-3-yl)amino]acrylic acid, ethyl ester |
| Copyright | Copyright © 2009-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C12H17N3O3 |
| InChI | InChI=1S/C12H17N3O3/c1-2-18-12(17)9(7-13)8-15-10-5-3-4-6-14-11(10)16/h8,10,15H,2-6H2,1H3,(H,14,16) |
| InChIKey | STXWFRGKRWKVHA-UHFFFAOYSA-N |
| Instrument Name | Varian CFT-20 |
| Sadtler NMR Number | 55769M |
| Solvent | CDCl3 |