| SpectraBase Spectrum ID |
7XyBiQjqFm2 |
| Name |
L-Alanine, N-(3-trifluoromethylbenzoyl)-, pentyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
331.139527994 u |
| Formula |
C16H20F3NO3 |
| InChI |
InChI=1S/C16H20F3NO3/c1-3-4-5-9-23-15(22)11(2)20-14(21)12-7-6-8-13(10-12)16(17,18)19/h6-8,10-11H,3-5,9H2,1-2H3,(H,20,21) |
| InChIKey |
VTJNJQPQQUVHNP-UHFFFAOYSA-N |
| Molecular Weight |
331.335 g/mol |
| SMILES |
C1=C(C=CC=C1C(NC(C(OCCCCC)=O)C)=O)C(F)(F)F |
