| SpectraBase Compound ID | 8e3d44JOQWi |
|---|---|
| InChI | InChI=1S/C13H13NO2/c1-9(13(15)16-2)7-10-8-14-12-6-4-3-5-11(10)12/h3-8,14H,1-2H3/b9-7+ |
| InChIKey | XAGJDELPIRWWIO-VQHVLOKHSA-N |
| Mol Weight | 215.25 g/mol |
| Molecular Formula | C13H13NO2 |
| Exact Mass | 215.094629 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 97xK8LpXQUk |
|---|---|
| Name | (E)-Methyl 3-(1H-indol-3-yl)-2-methylacrylate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 215.094628661 u |
| Formula | C13H13NO2 |
| InChI | InChI=1S/C13H13NO2/c1-9(13(15)16-2)7-10-8-14-12-6-4-3-5-11(10)12/h3-8,14H,1-2H3/b9-7+ |
| InChIKey | XAGJDELPIRWWIO-VQHVLOKHSA-N |
| Molecular Weight | 215.252 g/mol |
| SMILES | C=1C=C2C(=CNC2=CC1)\C=C\(C(OC)=O)C |