acetate](/api/spectrum/JZ9566qJ1FG/structure.png?h=300&w=458 "2-Fluoro-1-heptylprop-2-enyl [4-(methoxybenzoyl)amino](phenyl)acetate")
| SpectraBase Compound ID | 8ayHqrNNkdj |
|---|---|
| InChI | InChI=1S/C26H32FNO4/c1-4-5-6-7-8-12-23(19(2)27)32-25(29)18-20-14-16-21(17-15-20)28-26(30)22-11-9-10-13-24(22)31-3/h9-11,13-17,23H,2,4-8,12,18H2,1,3H3,(H,28,30) |
| InChIKey | AICAWSHTEDYJNO-UHFFFAOYSA-N |
| Mol Weight | 441.5 g/mol |
| Molecular Formula | C26H32FNO4 |
| Exact Mass | 441.231537 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JZ9566qJ1FG |
|---|---|
| Name | 2-Fluoro-1-heptylprop-2-enyl [4-(methoxybenzoyl)amino](phenyl)acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 441.231536673 u |
| Formula | C26H32FNO4 |
| InChI | InChI=1S/C26H32FNO4/c1-4-5-6-7-8-12-23(19(2)27)32-25(29)18-20-14-16-21(17-15-20)28-26(30)22-11-9-10-13-24(22)31-3/h9-11,13-17,23H,2,4-8,12,18H2,1,3H3,(H,28,30) |
| InChIKey | AICAWSHTEDYJNO-UHFFFAOYSA-N |
| Molecular Weight | 441.543 g/mol |
| SMILES | C(C=1C(OC)=CC=CC1)(NC=1C=CC(CC(OC(C(=C)F)CCCCCCC)=O)=CC1)=O |