| SpectraBase Compound ID | 86YdcEqI8er |
|---|---|
| InChI | InChI=1S/C21H23NO/c1-3-4-9-14-22-15-19(18-12-7-8-13-20(18)22)21(23)17-11-6-5-10-16(17)2/h5-8,10-13,15H,3-4,9,14H2,1-2H3 |
| InChIKey | MQKLESNFVYTLLA-UHFFFAOYSA-N |
| Mol Weight | 305.42 g/mol |
| Molecular Formula | C21H23NO |
| Exact Mass | 305.177964 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | AgunMXQ8zSJ |
|---|---|
| Name | (1-Pentyl-1H-indol-3-yl)(o-tolyl)methanone |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.177964364 u |
| Formula | C21H23NO |
| InChI | InChI=1S/C21H23NO/c1-3-4-9-14-22-15-19(18-12-7-8-13-20(18)22)21(23)17-11-6-5-10-16(17)2/h5-8,10-13,15H,3-4,9,14H2,1-2H3 |
| InChIKey | MQKLESNFVYTLLA-UHFFFAOYSA-N |
| Molecular Weight | 305.421 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C(C1=CC=CC=C1C)=O)=CN2CCCCC |