| SpectraBase Spectrum ID |
IuDp9TNVMnF |
| Name |
3(2H)-Thiazoleacetic acid, 4-methyl-2-[(trifluoroacetyl)imino]-, ethyl ester |
| Comments |
Computed using SmartSpectra Model v1.42 |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
296.044247882 u |
| Formula |
C10H11F3N2O3S |
| InChI |
InChI=1S/C10H11F3N2O3S/c1-3-18-7(16)4-15-6(2)5-19-9(15)14-8(17)10(11,12)13/h5H,3-4H2,1-2H3/b14-9- |
| InChIKey |
ROKGERUCKXDEJO-ZROIWOOFSA-N |
| Molecular Weight |
296.264 g/mol |
| SMILES |
C(\N=C\1N(C(C)=CS1)CC(=O)OCC)(C(F)(F)F)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.844958 |
![3(2H)-Thiazoleacetic acid, 4-methyl-2-[(trifluoroacetyl)imino]-, ethyl ester](/api/spectrum/IuDp9TNVMnF/structure.png?h=300&w=458 "3(2H)-Thiazoleacetic acid, 4-methyl-2-[(trifluoroacetyl)imino]-, ethyl ester")
