| SpectraBase Spectrum ID |
ADjFQLeliF3 |
| Name |
L-Alanine, N-(3-trifluoromethylbenzoyl)-, isohexyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
345.155178058 u |
| Formula |
C17H22F3NO3 |
| InChI |
InChI=1S/C17H22F3NO3/c1-11(2)6-5-9-24-16(23)12(3)21-15(22)13-7-4-8-14(10-13)17(18,19)20/h4,7-8,10-12H,5-6,9H2,1-3H3,(H,21,22) |
| InChIKey |
SHVLDEOSDSYJQZ-UHFFFAOYSA-N |
| Molecular Weight |
345.362 g/mol |
| SMILES |
C1=C(C=CC=C1C(NC(C(OCCCC(C)C)=O)C)=O)C(F)(F)F |
