| SpectraBase Compound ID | GbpQtP8Bxes |
|---|---|
| InChI | InChI=1S/C15H20F3NO/c1-11(2)3-4-12-5-7-13(8-6-12)9-10-19-14(20)15(16,17)18/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20) |
| InChIKey | REAHRQMNBBTORI-UHFFFAOYSA-N |
| Mol Weight | 287.33 g/mol |
| Molecular Formula | C15H20F3NO |
| Exact Mass | 287.149699 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | GVXqHbgCDxx |
|---|---|
| Name | 4-iso-Pentylphenethylamine tfa |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 287.149698756 u |
| Formula | C15H20F3NO |
| InChI | InChI=1S/C15H20F3NO/c1-11(2)3-4-12-5-7-13(8-6-12)9-10-19-14(20)15(16,17)18/h5-8,11H,3-4,9-10H2,1-2H3,(H,19,20) |
| InChIKey | REAHRQMNBBTORI-UHFFFAOYSA-N |
| Molecular Weight | 287.326 g/mol |
| SMILES | C(C(F)(F)F)(NCCC=1C=CC(=CC1)CCC(C)C)=O |