| SpectraBase Spectrum ID |
AeAOHCCrQKF |
| Name |
N-Trifluoroacetyl-N-phenylglycine, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
275.076927736 u |
| Formula |
C12H12F3NO3 |
| InChI |
InChI=1S/C12H12F3NO3/c1-2-19-10(17)8-16(11(18)12(13,14)15)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3 |
| InChIKey |
QDSKSXFRMRAXOJ-UHFFFAOYSA-N |
| Molecular Weight |
275.227 g/mol |
| SMILES |
C1=CC=CC(=C1)N(CC(=O)OCC)C(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.952494 |
