| SpectraBase Compound ID | CGe5a4rvM5X |
|---|---|
| InChI | InChI=1S/C16H19NO/c1-11(2)16(3,4)9-15(18)13-10-17-14-8-6-5-7-12(13)14/h5-8,10,17H,1,9H2,2-4H3 |
| InChIKey | NSRDFLOPIJLMCX-UHFFFAOYSA-N |
| Mol Weight | 241.33 g/mol |
| Molecular Formula | C16H19NO |
| Exact Mass | 241.146664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8ejhNcTfSE8 |
|---|---|
| Name | 1-(1H-Indol-3-yl)-3,3,4-trimethylpent-4-en-1-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 241.146664235 u |
| Formula | C16H19NO |
| InChI | InChI=1S/C16H19NO/c1-11(2)16(3,4)9-15(18)13-10-17-14-8-6-5-7-12(13)14/h5-8,10,17H,1,9H2,2-4H3 |
| InChIKey | NSRDFLOPIJLMCX-UHFFFAOYSA-N |
| Molecular Weight | 241.334 g/mol |
| SMILES | C(CC(C(=C)C)(C)C)(=O)C1=CNC=2C=CC=CC12 |