| SpectraBase Compound ID | JSxCCd6B0Pw |
|---|---|
| InChI | InChI=1S/C15H18F5NO/c16-14(17,15(18,19)20)13(22)21-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,21,22) |
| InChIKey | PCWBQJSCPOHDTF-UHFFFAOYSA-N |
| Mol Weight | 323.31 g/mol |
| Molecular Formula | C15H18F5NO |
| Exact Mass | 323.130855 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5f7WAHg84bl |
|---|---|
| Name | Phenylhexylamine, pentafluoropropionyl- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 323.130855018 u |
| Formula | C15H18F5NO |
| InChI | InChI=1S/C15H18F5NO/c16-14(17,15(18,19)20)13(22)21-11-7-2-1-4-8-12-9-5-3-6-10-12/h3,5-6,9-10H,1-2,4,7-8,11H2,(H,21,22) |
| InChIKey | PCWBQJSCPOHDTF-UHFFFAOYSA-N |
| Molecular Weight | 323.307 g/mol |
| SMILES | C1=C(C=CC=C1)CCCCCCNC(=O)C(F)(F)C(F)(F)F |