| SpectraBase Compound ID | COeBTDdmFYc |
|---|---|
| InChI | InChI=1S/C15H14N2O/c1-2-5-13(18)15-14-11(8-9-16-15)10-6-3-4-7-12(10)17-14/h3-4,6-9,17H,2,5H2,1H3 |
| InChIKey | ZKAFVTWGYGOUCC-UHFFFAOYSA-N |
| Mol Weight | 238.29 g/mol |
| Molecular Formula | C15H14N2O |
| Exact Mass | 238.110613 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3eHBzKapoc |
|---|---|
| Name | 1-(9H-.beta.-Carbolin-1-yl)-butan-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 238.110613078 u |
| Formula | C15H14N2O |
| InChI | InChI=1S/C15H14N2O/c1-2-5-13(18)15-14-11(8-9-16-15)10-6-3-4-7-12(10)17-14/h3-4,6-9,17H,2,5H2,1H3 |
| InChIKey | ZKAFVTWGYGOUCC-UHFFFAOYSA-N |
| Molecular Weight | 238.290 g/mol |
| SMILES | C1=2NC3=CC=CC=C3C2C=CN=C1C(=O)CCC |