| SpectraBase Compound ID | HtuB1ZLh1qv |
|---|---|
| InChI | InChI=1S/C21H35N/c1-17(15-22-16-19-8-6-5-7-9-19)14-18-10-12-20(13-11-18)21(2,3)4/h10-13,17,19,22H,5-9,14-16H2,1-4H3 |
| InChIKey | WAIODSCMTAXJJK-UHFFFAOYSA-N |
| Mol Weight | 301.5 g/mol |
| Molecular Formula | C21H35N |
| Exact Mass | 301.27695 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8Jk70V14NsE |
|---|---|
| Name | Benzenepropanamine, N-(cyclohexylmethyl)-4-(1,1-dimethylethyl)-beta-methyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.276950131 u |
| Formula | C21H35N |
| InChI | InChI=1S/C21H35N/c1-17(15-22-16-19-8-6-5-7-9-19)14-18-10-12-20(13-11-18)21(2,3)4/h10-13,17,19,22H,5-9,14-16H2,1-4H3 |
| InChIKey | WAIODSCMTAXJJK-UHFFFAOYSA-N |
| SMILES | N(CC(CC1=CC=C(C=C1)C(C)(C)C)C)CC1CCCCC1 |