| SpectraBase Spectrum ID |
JH63sNblkXa |
| Name |
L-Alanine, N-(2-trifluoromethylbenzoyl)-, heptyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
359.170828123 u |
| Formula |
C18H24F3NO3 |
| InChI |
InChI=1S/C18H24F3NO3/c1-3-4-5-6-9-12-25-17(24)13(2)22-16(23)14-10-7-8-11-15(14)18(19,20)21/h7-8,10-11,13H,3-6,9,12H2,1-2H3,(H,22,23) |
| InChIKey |
FQBYTODJZCJUFM-UHFFFAOYSA-N |
| Molecular Weight |
359.389 g/mol |
| SMILES |
C1(=CC=CC=C1C(NC(C)C(OCCCCCCC)=O)=O)C(F)(F)F |
