| SpectraBase Compound ID | J6KgxFxiLvr |
|---|---|
| InChI | InChI=1S/C18H27NO3/c1-4-7-18(20)19(10-5-2)15(6-3)11-14-8-9-16-17(12-14)22-13-21-16/h8-9,12,15H,4-7,10-11,13H2,1-3H3 |
| InChIKey | MUKDUXAVWBXFFQ-UHFFFAOYSA-N |
| Mol Weight | 305.42 g/mol |
| Molecular Formula | C18H27NO3 |
| Exact Mass | 305.199094 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 90RCmxMciQ4 |
|---|---|
| Name | N-Propyl-1-(3,4-methylenedioxyphenyl)butan-2-amine but |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.199093730 u |
| Formula | C18H27NO3 |
| InChI | InChI=1S/C18H27NO3/c1-4-7-18(20)19(10-5-2)15(6-3)11-14-8-9-16-17(12-14)22-13-21-16/h8-9,12,15H,4-7,10-11,13H2,1-3H3 |
| InChIKey | MUKDUXAVWBXFFQ-UHFFFAOYSA-N |
| Molecular Weight | 305.418 g/mol |
| SMILES | C1=2C(=CC=C(C2)CC(N(C(CCC)=O)CCC)CC)OCO1 |