| SpectraBase Compound ID | 8Qd0Gmmepc9 |
|---|---|
| InChI | InChI=1S/C21H21NO3/c1-3-4-8-18-19(16-7-5-6-9-17(16)22-18)20(23)14-10-12-15(13-11-14)21(24)25-2/h5-7,9-13,22H,3-4,8H2,1-2H3 |
| InChIKey | DJQLJBJVFQUBRL-UHFFFAOYSA-N |
| Mol Weight | 335.4 g/mol |
| Molecular Formula | C21H21NO3 |
| Exact Mass | 335.152144 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GjyGtLDFvAc |
|---|---|
| Name | 2-N-Butyl)-3-(4-carbomethoxybenzoyl)indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.152143537 u |
| Formula | C21H21NO3 |
| InChI | InChI=1S/C21H21NO3/c1-3-4-8-18-19(16-7-5-6-9-17(16)22-18)20(23)14-10-12-15(13-11-14)21(24)25-2/h5-7,9-13,22H,3-4,8H2,1-2H3 |
| InChIKey | DJQLJBJVFQUBRL-UHFFFAOYSA-N |
| Molecular Weight | 335.403 g/mol |
| SMILES | C1(=C(NC=2C1=CC=CC2)CCCC)C(C1=CC=C(C(=O)OC)C=C1)=O |