SpectraBase Compound ID | KU19S5WdFER |
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InChI | InChI=1S/C23H28F15NO3/c1-3-5-6-7-8-9-10-11-13-42-15(40)14(12-4-2)39-16(41)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h4,14H,2-3,5-13H2,1H3,(H,39,41) |
InChIKey | GHVYOLNVGMYPCZ-UHFFFAOYSA-N |
Mol Weight | 651.46 g/mol |
Molecular Formula | C23H28F15NO3 |
Exact Mass | 651.182966 g/mol |
SpectraBase Spectrum ID | 1cTJdUSIuJ8 |
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Name | D-Allylglycine, N-pentadecafluorooctanoyl-, decyl ester |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 651.182966208 u |
Formula | C23H28F15NO3 |
InChI | InChI=1S/C23H28F15NO3/c1-3-5-6-7-8-9-10-11-13-42-15(40)14(12-4-2)39-16(41)17(24,25)18(26,27)19(28,29)20(30,31)21(32,33)22(34,35)23(36,37)38/h4,14H,2-3,5-13H2,1H3,(H,39,41) |
InChIKey | GHVYOLNVGMYPCZ-UHFFFAOYSA-N |
Molecular Weight | 651.457 g/mol |
SMILES | CCCCCCCCCCOC(C(NC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)=O)CC=C)=O |