| SpectraBase Compound ID | 3Iy78mrUPHe |
|---|---|
| InChI | InChI=1S/C17H23NO4/c1-4-12(10-18(16(19)5-2)17(20)6-3)13-7-8-14-15(9-13)22-11-21-14/h7-9,12H,4-6,10-11H2,1-3H3 |
| InChIKey | FGDPTVAZGVZQNP-UHFFFAOYSA-N |
| Mol Weight | 305.37 g/mol |
| Molecular Formula | C17H23NO4 |
| Exact Mass | 305.162708 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | EgpsiwsOXGR |
|---|---|
| Name | 2-(3,4-Methylenedioxyphenyl)butan-1-amine 2prop |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 305.162708221 u |
| Formula | C17H23NO4 |
| InChI | InChI=1S/C17H23NO4/c1-4-12(10-18(16(19)5-2)17(20)6-3)13-7-8-14-15(9-13)22-11-21-14/h7-9,12H,4-6,10-11H2,1-3H3 |
| InChIKey | FGDPTVAZGVZQNP-UHFFFAOYSA-N |
| SMILES | C(N(C(CC)=O)C(CC)=O)C(C=1C=C2C(=CC1)OCO2)CC |