| SpectraBase Compound ID | 8W3VDOWLmYJ |
|---|---|
| InChI | InChI=1S/C21H21NO2/c1-2-3-15-24-20(23)14-13-18-17-11-7-8-12-19(17)22-21(18)16-9-5-4-6-10-16/h4-14,22H,2-3,15H2,1H3/b14-13+ |
| InChIKey | HJZCFPUYAASQOQ-BUHFOSPRSA-N |
| Mol Weight | 319.4 g/mol |
| Molecular Formula | C21H21NO2 |
| Exact Mass | 319.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lqq9uUgmyLk |
|---|---|
| Name | (E)-Butyl 3-(2-phenyl-1H-indol-3-yl)acrylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 319.157228918 u |
| Formula | C21H21NO2 |
| InChI | InChI=1S/C21H21NO2/c1-2-3-15-24-20(23)14-13-18-17-11-7-8-12-19(17)22-21(18)16-9-5-4-6-10-16/h4-14,22H,2-3,15H2,1H3/b14-13+ |
| InChIKey | HJZCFPUYAASQOQ-BUHFOSPRSA-N |
| Molecular Weight | 319.404 g/mol |
| SMILES | C1=CC=C2NC(=C(C2=C1)\C=C\C(OCCCC)=O)C1=CC=CC=C1 |