| SpectraBase Compound ID | 9cRnvS29br0 |
|---|---|
| InChI | InChI=1S/C18H21NO2/c1-2-16(19-12-14-6-4-3-5-7-14)10-15-8-9-17-18(11-15)21-13-20-17/h3-9,11,16,19H,2,10,12-13H2,1H3 |
| InChIKey | ONXCFKACNVXQNV-UHFFFAOYSA-N |
| Mol Weight | 283.37 g/mol |
| Molecular Formula | C18H21NO2 |
| Exact Mass | 283.157229 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CV7OAQHcx7W |
|---|---|
| Name | N-Benzyl-1-(3,4-methylenedioxyphenyl)butan-2-amine |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 283.157228918 u |
| Formula | C18H21NO2 |
| InChI | InChI=1S/C18H21NO2/c1-2-16(19-12-14-6-4-3-5-7-14)10-15-8-9-17-18(11-15)21-13-20-17/h3-9,11,16,19H,2,10,12-13H2,1H3 |
| InChIKey | ONXCFKACNVXQNV-UHFFFAOYSA-N |
| SMILES | C1=2C(=CC=C(C2)CC(NCC=2C=CC=CC2)CC)OCO1 |