| SpectraBase Spectrum ID |
5AjepEq2Ocu |
| Name |
2-oxo-2H-1-Benzopyran-3-carboxylic acid, 2-methyl-2-(2-nitro-alpha,alpha,alpha-trifluoro-p-toluidino)propyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
450.103870758 u |
| Formula |
C21H17F3N2O6 |
| InChI |
InChI=1S/C21H17F3N2O6/c1-20(2,25-15-8-7-13(21(22,23)24)10-16(15)26(29)30)11-31-18(27)14-9-12-5-3-4-6-17(12)32-19(14)28/h3-10,25H,11H2,1-2H3 |
| InChIKey |
YKLHPVWQDHIFPL-UHFFFAOYSA-N |
| Molecular Weight |
450.370 g/mol |
| SMILES |
N(C(COC(C1=CC=2C=CC=CC2OC1=O)=O)(C)C)C=1C=CC(=CC1N(=O)=O)C(F)(F)F |
