| SpectraBase Compound ID | E9SJGH6O8Ds |
|---|---|
| InChI | InChI=1S/C27H38F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-38-23(36)22(20-21-17-14-13-15-18-21)35-24(37)25(28,29)26(30,31)27(32,33)34/h13-15,17-18,22H,2-12,16,19-20H2,1H3,(H,35,37) |
| InChIKey | QWZVQXJJVOMLTI-UHFFFAOYSA-N |
| Mol Weight | 557.6 g/mol |
| Molecular Formula | C27H38F7NO3 |
| Exact Mass | 557.273991 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KdCYqujCfJE |
|---|---|
| Name | L-Phenylalanine, N-heptafluorobutyryl-, tetradecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 557.273991226 u |
| Formula | C27H38F7NO3 |
| InChI | InChI=1S/C27H38F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19-38-23(36)22(20-21-17-14-13-15-18-21)35-24(37)25(28,29)26(30,31)27(32,33)34/h13-15,17-18,22H,2-12,16,19-20H2,1H3,(H,35,37) |
| InChIKey | QWZVQXJJVOMLTI-UHFFFAOYSA-N |
| Molecular Weight | 557.594 g/mol |
| SMILES | C(CCCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC1=CC=CC=C1)=O)C |