| SpectraBase Compound ID | 3aLRPLZcP3J |
|---|---|
| InChI | InChI=1S/C21H35NO2/c1-3-5-6-7-8-9-10-11-14-22-19(4-2)15-18-12-13-20-21(16-18)24-17-23-20/h12-13,16,19,22H,3-11,14-15,17H2,1-2H3 |
| InChIKey | QUFZXGKQZHWUCI-UHFFFAOYSA-N |
| Mol Weight | 333.5 g/mol |
| Molecular Formula | C21H35NO2 |
| Exact Mass | 333.266779 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ip2kZdELb21 |
|---|---|
| Name | N-Decyl-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 | 333.266779369 u |
| Formula | C21H35NO2 |
| InChI | InChI=1S/C21H35NO2/c1-3-5-6-7-8-9-10-11-14-22-19(4-2)15-18-12-13-20-21(16-18)24-17-23-20/h12-13,16,19,22H,3-11,14-15,17H2,1-2H3 |
| InChIKey | QUFZXGKQZHWUCI-UHFFFAOYSA-N |
| Molecular Weight | 333.516 g/mol |
| SMILES | C1=2C(=CC(CC(NCCCCCCCCCC)CC)=CC2)OCO1 |