| SpectraBase Spectrum ID |
8UA4Bk7ya3J |
| Name |
dl-4662, N-trifluoroacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
361.150092677 u |
| Formula |
C17H22F3NO4 |
| InChI |
InChI=1S/C17H22F3NO4/c1-5-7-12(21(6-2)16(23)17(18,19)20)15(22)11-8-9-13(24-3)14(10-11)25-4/h8-10,12H,5-7H2,1-4H3 |
| InChIKey |
PTTVKCSWVIQANV-UHFFFAOYSA-N |
| Molecular Weight |
361.361 g/mol |
| SMILES |
C(C(CCC)N(CC)C(C(F)(F)F)=O)(=O)C1=CC(OC)=C(C=C1)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.958789 |
