| SpectraBase Compound ID | LDBtzPUZLqT |
|---|---|
| InChI | InChI=1S/C22H35NO/c1-5-7-9-11-13-20-18(3)23(16-12-10-8-6-2)22-15-14-19(24-4)17-21(20)22/h14-15,17H,5-13,16H2,1-4H3 |
| InChIKey | RNWGXFOKDZJJRE-UHFFFAOYSA-N |
| Mol Weight | 329.5 g/mol |
| Molecular Formula | C22H35NO |
| Exact Mass | 329.271865 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | uN9A0jRXtr |
|---|---|
| Name | 1,3-Dihexyl-5-methoxy-2-methylindole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.271864750 u |
| Formula | C22H35NO |
| InChI | InChI=1S/C22H35NO/c1-5-7-9-11-13-20-18(3)23(16-12-10-8-6-2)22-15-14-19(24-4)17-21(20)22/h14-15,17H,5-13,16H2,1-4H3 |
| InChIKey | RNWGXFOKDZJJRE-UHFFFAOYSA-N |
| Molecular Weight | 329.528 g/mol |
| SMILES | C=12C(N(C(=C2CCCCCC)C)CCCCCC)=CC=C(C1)OC |