| SpectraBase Compound ID | EC1ZB6jN2tR |
|---|---|
| InChI | InChI=1S/C29H42F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-40-25(38)24(22-23-19-16-15-17-20-23)37-26(39)27(30,31)28(32,33)29(34,35)36/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,37,39) |
| InChIKey | GPYLMDHCDSFFLE-UHFFFAOYSA-N |
| Mol Weight | 585.6 g/mol |
| Molecular Formula | C29H42F7NO3 |
| Exact Mass | 585.305291 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 42BPvb3w2xN |
|---|---|
| Name | L-Phenylalanine, N-heptafluorobutyryl-, hexadecyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 585.305291354 u |
| Formula | C29H42F7NO3 |
| InChI | InChI=1S/C29H42F7NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-21-40-25(38)24(22-23-19-16-15-17-20-23)37-26(39)27(30,31)28(32,33)29(34,35)36/h15-17,19-20,24H,2-14,18,21-22H2,1H3,(H,37,39) |
| InChIKey | GPYLMDHCDSFFLE-UHFFFAOYSA-N |
| Molecular Weight | 585.648 g/mol |
| SMILES | CCCCCCCCCCCCCCCCOC(C(NC(C(C(C(F)(F)F)(F)F)(F)F)=O)CC1=CC=CC=C1)=O |