| SpectraBase Compound ID | 2gBRQEsMI2g |
|---|---|
| InChI | InChI=1S/C16H21N/c1-4-6-10-13-14-11-7-8-12-16(14)17(3)15(13)9-5-2/h5,7-8,11-12H,2,4,6,9-10H2,1,3H3 |
| InChIKey | ZHDATNYNWQIWGD-UHFFFAOYSA-N |
| Mol Weight | 227.35 g/mol |
| Molecular Formula | C16H21N |
| Exact Mass | 227.1674 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | LSTQ3Ogl7YI |
|---|---|
| Name | 2-Allyl-3-butyl-1-methyl-1H-indole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 227.167399680 u |
| Formula | C16H21N |
| InChI | InChI=1S/C16H21N/c1-4-6-10-13-14-11-7-8-12-16(14)17(3)15(13)9-5-2/h5,7-8,11-12H,2,4,6,9-10H2,1,3H3 |
| InChIKey | ZHDATNYNWQIWGD-UHFFFAOYSA-N |
| Molecular Weight | 227.351 g/mol |
| SMILES | C=1C=C2C(=C(N(C2=CC1)C)CC=C)CCCC |