| SpectraBase Spectrum ID |
CQfy6KNXT2p |
| Name |
(S)-(+)-2-phenyl-N-(trifluoroacetyl)glycine methyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
261.061277672 u |
| Formula |
C11H10F3NO3 |
| InChI |
InChI=1S/C11H10F3NO3/c1-18-9(16)8(7-5-3-2-4-6-7)15-10(17)11(12,13)14/h2-6,8H,1H3,(H,15,17)/t8-/m0/s1 |
| InChIKey |
UZPZHEHQDFPRST-QMMMGPOBSA-N |
| Molecular Weight |
261.200 g/mol |
| SMILES |
C(C(F)(F)F)(N[C@](C(=O)OC)(C=1C=CC=CC1)[H])=O |
| Spectrum/Structure Validation Score (Raman) |
0.910842 |
