![4-methyl-N-[3-(4-methylcyclohexen-3-yl)-butyl]-aniline](/api/spectrum/GCrhJEZhTaj/structure.png?h=300&w=458 "4-methyl-N-[3-(4-methylcyclohexen-3-yl)-butyl]-aniline")
| SpectraBase Compound ID | KcbmRYOyZyI |
|---|---|
| InChI | InChI=1S/C18H27N/c1-14-4-8-17(9-5-14)16(3)12-13-19-18-10-6-15(2)7-11-18/h4,6-7,10-11,16-17,19H,5,8-9,12-13H2,1-3H3 |
| InChIKey | TVNBEJYACJRXOP-UHFFFAOYSA-N |
| Mol Weight | 257.42 g/mol |
| Molecular Formula | C18H27N |
| Exact Mass | 257.21435 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GCrhJEZhTaj |
|---|---|
| Name | 4-Methyl-N-[3-(4-methylcyclohexen-3-yl)-butyl]-aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 257.214349873 u |
| Formula | C18H27N |
| InChI | InChI=1S/C18H27N/c1-14-4-8-17(9-5-14)16(3)12-13-19-18-10-6-15(2)7-11-18/h4,6-7,10-11,16-17,19H,5,8-9,12-13H2,1-3H3 |
| InChIKey | TVNBEJYACJRXOP-UHFFFAOYSA-N |
| Molecular Weight | 257.421 g/mol |
| SMILES | C1=C(CCC(C1)C(CCNC1=CC=C(C=C1)C)C)C |