| SpectraBase Compound ID | 3BW3vJY2LfV |
|---|---|
| InChI | InChI=1S/C13H13NO/c1-10(15)7-8-11-9-14(2)13-6-4-3-5-12(11)13/h3-9H,1-2H3/b8-7+ |
| InChIKey | HCYQBFAGILCNRB-BQYQJAHWSA-N |
| Mol Weight | 199.25 g/mol |
| Molecular Formula | C13H13NO |
| Exact Mass | 199.099714 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CFRDfRCWYff |
|---|---|
| Name | (3E)-4-(1-Methyl-1H-indol-3-yl)-3-buten-2-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 199.099714042 u |
| Formula | C13H13NO |
| InChI | InChI=1S/C13H13NO/c1-10(15)7-8-11-9-14(2)13-6-4-3-5-12(11)13/h3-9H,1-2H3/b8-7+ |
| InChIKey | HCYQBFAGILCNRB-BQYQJAHWSA-N |
| Molecular Weight | 199.253 g/mol |
| SMILES | CC(\C=C\C1=CN(C2=C1C=CC=C2)C)=O |