SpectraBase Spectrum ID |
JIhtjIpTqcy |
Name |
L-Phenylalanine, N-pentafluoropropionyl-, heptyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
409.167634449 u |
Formula |
C19H24F5NO3 |
InChI |
InChI=1S/C19H24F5NO3/c1-2-3-4-5-9-12-28-16(26)15(13-14-10-7-6-8-11-14)25-17(27)18(20,21)19(22,23)24/h6-8,10-11,15H,2-5,9,12-13H2,1H3,(H,25,27) |
InChIKey |
BUCMQTRROBFHOK-UHFFFAOYSA-N |
Molecular Weight |
409.397 g/mol |
SMILES |
C1=CC=C(C=C1)CC(NC(C(C(F)(F)F)(F)F)=O)C(OCCCCCCC)=O |