| SpectraBase Compound ID | HMLCN5EsoLB |
|---|---|
| InChI | InChI=1S/C17H19NO/c1-2-14-11-15-16(9-6-10-17(15)19)18(14)12-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3 |
| InChIKey | WAZKIRPFJTZRDA-UHFFFAOYSA-N |
| Mol Weight | 253.34 g/mol |
| Molecular Formula | C17H19NO |
| Exact Mass | 253.146664 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 22KMRtb8mxO |
|---|---|
| Name | 1-Benzyl-2-ethyl-1,5,6,7-tetrahydro-4H-indol-4-one |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 253.146664235 u |
| Formula | C17H19NO |
| InChI | InChI=1S/C17H19NO/c1-2-14-11-15-16(9-6-10-17(15)19)18(14)12-13-7-4-3-5-8-13/h3-5,7-8,11H,2,6,9-10,12H2,1H3 |
| InChIKey | WAZKIRPFJTZRDA-UHFFFAOYSA-N |
| Molecular Weight | 253.345 g/mol |
| SMILES | C1=2N(C(=CC2C(=O)CCC1)CC)CC1=CC=CC=C1 |