![1-[( 3'-Ethoxycarbonyl)phenyl]-3-aminoprop-1-ene](/api/spectrum/Grvlog2uZn8/structure.png?h=300&w=458 "1-[( 3'-Ethoxycarbonyl)phenyl]-3-aminoprop-1-ene")
| SpectraBase Compound ID | KRLtDBHphJb |
|---|---|
| InChI | InChI=1S/C12H15NO2/c1-2-15-12(14)11-7-3-5-10(9-11)6-4-8-13/h3-7,9H,2,8,13H2,1H3/b6-4+ |
| InChIKey | RWBAYCKTUUJMQW-GQCTYLIASA-N |
| Mol Weight | 205.26 g/mol |
| Molecular Formula | C12H15NO2 |
| Exact Mass | 205.110279 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Grvlog2uZn8 |
|---|---|
| Name | 1-[( 3'-Ethoxycarbonyl)phenyl]-3-aminoprop-1-ene |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 205.110278725 u |
| Formula | C12H15NO2 |
| InChI | InChI=1S/C12H15NO2/c1-2-15-12(14)11-7-3-5-10(9-11)6-4-8-13/h3-7,9H,2,8,13H2,1H3/b6-4+ |
| InChIKey | RWBAYCKTUUJMQW-GQCTYLIASA-N |
| Molecular Weight | 205.257 g/mol |
| SMILES | C(C1=CC(\C=C\CN)=CC=C1)(=O)OCC |