SpectraBase Spectrum ID |
3JIE0dlm2o9 |
Name |
D-Allylglycine, N-heptafluorobutyryl-, heptadecyl ester |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
549.305291354 u |
Formula |
C26H42F7NO3 |
InChI |
InChI=1S/C26H42F7NO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20-37-22(35)21(19-4-2)34-23(36)24(27,28)25(29,30)26(31,32)33/h4,21H,2-3,5-20H2,1H3,(H,34,36) |
InChIKey |
GYXWLSGXYRNBKJ-UHFFFAOYSA-N |
Molecular Weight |
549.615 g/mol |
SMILES |
C(CCCCCCCCOC(C(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)CC=C)=O)CCCCCCCC |