| SpectraBase Spectrum ID |
DFfv6eEF1k7 |
| Name |
(S)-1-(3,5-bis(Trifluoromethyl)phenyl)ethan-1-amine, N,N-diacetyl- |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
341.085047639 u |
| Formula |
C14H13F6NO2 |
| InChI |
InChI=1S/C14H13F6NO2/c1-7(21(8(2)22)9(3)23)10-4-11(13(15,16)17)6-12(5-10)14(18,19)20/h4-7H,1-3H3/t7-/m0/s1 |
| InChIKey |
PYGTVMINPCAVSK-ZETCQYMHSA-N |
| Molecular Weight |
341.253 g/mol |
| SMILES |
C(F)(F)(F)C1=CC(=CC(=C1)C(F)(F)F)[C@@]([H])(N(C(=O)C)C(=O)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.873063 |
