| SpectraBase Spectrum ID |
9F9r0CjRgiZ |
| Name |
4-Methyl-2-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-5-thiazolecarboxylic acid, ethyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
392.011233675 u |
| Formula |
C14H11F3N2O4S2 |
| InChI |
InChI=1S/C14H11F3N2O4S2/c1-3-23-12(20)11-7(2)18-13(25-11)24-10-5-4-8(14(15,16)17)6-9(10)19(21)22/h4-6H,3H2,1-2H3 |
| InChIKey |
XAHGQAHNIRYJGO-UHFFFAOYSA-N |
| Molecular Weight |
392.367 g/mol |
| SMILES |
C(F)(F)(F)C=1C=C(C(=CC1)SC1=NC(=C(S1)C(OCC)=O)C)N(=O)=O |
![4-Methyl-2-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-5-thiazolecarboxylic acid, ethyl ester](/api/spectrum/9F9r0CjRgiZ/structure.png?h=300&w=458 "4-Methyl-2-[(2-nitro-alpha,alpha,alpha-trifluoro-p-tolyl)thio]-5-thiazolecarboxylic acid, ethyl ester")
