| SpectraBase Compound ID | GHD6RmH1U1O |
|---|---|
| InChI | InChI=1S/C18H29NO2/c1-3-5-6-7-12-19(11-4-2)13-10-16-8-9-17-18(14-16)21-15-20-17/h8-9,14H,3-7,10-13,15H2,1-2H3 |
| InChIKey | NHQQARKGXRJMEM-UHFFFAOYSA-N |
| Mol Weight | 291.44 g/mol |
| Molecular Formula | C18H29NO2 |
| Exact Mass | 291.219829 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 6ew0pHbxX4C |
|---|---|
| Name | N-Hexyl-N-propyl-3,4-methylenedioxyphenehylamine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 291.219829176 u |
| Formula | C18H29NO2 |
| InChI | InChI=1S/C18H29NO2/c1-3-5-6-7-12-19(11-4-2)13-10-16-8-9-17-18(14-16)21-15-20-17/h8-9,14H,3-7,10-13,15H2,1-2H3 |
| InChIKey | NHQQARKGXRJMEM-UHFFFAOYSA-N |
| SMILES | C1=2C(=CC=C(C2)CCN(CCCCCC)CCC)OCO1 |