| SpectraBase Compound ID | HYyrXhJVbWq |
|---|---|
| InChI | InChI=1S/C21H23NO/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)17-12-10-16(2)11-13-17/h5-6,8-13,15H,3-4,7,14H2,1-2H3 |
| InChIKey | ZLJNSLCZTBDMIW-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 | FqNG4t728V3 |
|---|---|
| Name | (1-Pentyl-1H-indol-3-yl)(p-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/c1-3-4-7-14-22-15-19(18-8-5-6-9-20(18)22)21(23)17-12-10-16(2)11-13-17/h5-6,8-13,15H,3-4,7,14H2,1-2H3 |
| InChIKey | ZLJNSLCZTBDMIW-UHFFFAOYSA-N |
| Molecular Weight | 305.421 g/mol |
| SMILES | C1=CC=C2C(=C1)C(C(C1=CC=C(C=C1)C)=O)=CN2CCCCC |