| SpectraBase Compound ID | 810gsR1FT7E |
|---|---|
| InChI | InChI=1S/C13H14F3NO3/c1-2-8(6-17-12(18)13(14,15)16)9-3-4-10-11(5-9)20-7-19-10/h3-5,8H,2,6-7H2,1H3,(H,17,18) |
| InChIKey | MEXRRFLCJLNDPC-UHFFFAOYSA-N |
| Mol Weight | 289.25 g/mol |
| Molecular Formula | C13H14F3NO3 |
| Exact Mass | 289.092578 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 8xcmw2Jn5L0 |
|---|---|
| Name | 2-(3,4-Methylenedioxyphenyl)butan-1-amine tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 289.092577801 u |
| Formula | C13H14F3NO3 |
| InChI | InChI=1S/C13H14F3NO3/c1-2-8(6-17-12(18)13(14,15)16)9-3-4-10-11(5-9)20-7-19-10/h3-5,8H,2,6-7H2,1H3,(H,17,18) |
| InChIKey | MEXRRFLCJLNDPC-UHFFFAOYSA-N |
| Molecular Weight | 289.254 g/mol |
| SMILES | C(NCC(C=1C=C2C(=CC1)OCO2)CC)(C(F)(F)F)=O |