| SpectraBase Spectrum ID |
JlZ4vXuLh32 |
| Name |
.beta.-Alanine, N-(2,6-difluorobenzoyl)-, dodecyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
397.242850250 u |
| Formula |
C22H33F2NO3 |
| InChI |
InChI=1S/C22H33F2NO3/c1-2-3-4-5-6-7-8-9-10-11-17-28-20(26)15-16-25-22(27)21-18(23)13-12-14-19(21)24/h12-14H,2-11,15-17H2,1H3,(H,25,27) |
| InChIKey |
ZDTVAHZRYITSPL-UHFFFAOYSA-N |
| Molecular Weight |
397.507 g/mol |
| SMILES |
C1=CC=C(C(=C1F)C(NCCC(OCCCCCCCCCCCC)=O)=O)F |
