| SpectraBase Spectrum ID |
5DVbKRI8THO |
| Name |
L-Alanine, N-(4-trifluoromethylbenzoyl)-, hexyl 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/c1-3-4-5-6-11-24-16(23)12(2)21-15(22)13-7-9-14(10-8-13)17(18,19)20/h7-10,12H,3-6,11H2,1-2H3,(H,21,22) |
| InChIKey |
PMUHZEVGQKIIMM-UHFFFAOYSA-N |
| Molecular Weight |
345.362 g/mol |
| SMILES |
C1=CC(=CC=C1C(NC(C(OCCCCCC)=O)C)=O)C(F)(F)F |
