| SpectraBase Compound ID | 8IrdMSwL2Qw |
|---|---|
| InChI | InChI=1S/C16H23NO3/c1-18-14-9-12(10-15-16(14)20-11-19-15)7-8-17-13-5-3-2-4-6-13/h9-10,13,17H,2-8,11H2,1H3 |
| InChIKey | UJEQQHXDUJGXPN-UHFFFAOYSA-N |
| Mol Weight | 277.36 g/mol |
| Molecular Formula | C16H23NO3 |
| Exact Mass | 277.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Lic1mRIKHWA |
|---|---|
| Name | N-Cyclohexyl-3-methoxy-4,5-methylenedioxyphenethylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.167793602 u |
| Formula | C16H23NO3 |
| InChI | InChI=1S/C16H23NO3/c1-18-14-9-12(10-15-16(14)20-11-19-15)7-8-17-13-5-3-2-4-6-13/h9-10,13,17H,2-8,11H2,1H3 |
| InChIKey | UJEQQHXDUJGXPN-UHFFFAOYSA-N |
| SMILES | C1=2C(=CC(=CC2OC)CCNC2CCCCC2)OCO1 |