| SpectraBase Compound ID | IIXzSFVkewb |
|---|---|
| InChI | InChI=1S/C17H27NO2/c1-4-6-7-13(3)18-15(5-2)10-14-8-9-16-17(11-14)20-12-19-16/h8-9,11,13,15,18H,4-7,10,12H2,1-3H3 |
| InChIKey | NTUSHJMGJKWQDL-UHFFFAOYSA-N |
| Mol Weight | 277.41 g/mol |
| Molecular Formula | C17H27NO2 |
| Exact Mass | 277.204179 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BenNcPQTEZ5 |
|---|---|
| Name | N-(2-Hexyl)-1-(3,4-methylenedioxyphenyl)butan-2-amine I |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 277.204179111 u |
| Formula | C17H27NO2 |
| InChI | InChI=1S/C17H27NO2/c1-4-6-7-13(3)18-15(5-2)10-14-8-9-16-17(11-14)20-12-19-16/h8-9,11,13,15,18H,4-7,10,12H2,1-3H3 |
| InChIKey | NTUSHJMGJKWQDL-UHFFFAOYSA-N |
| Molecular Weight | 277.408 g/mol |
| SMILES | C1=2C(=CC(CC(NC(CCCC)C)CC)=CC2)OCO1 |