| SpectraBase Spectrum ID |
J8OwkU4lDnv |
| Name |
2,6-Dinitro-alpha,alpha,alpha-trifluoro-p-cresol, 2,4-dichlorobenzoate |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
423.947675772 u |
| Formula |
C14H5Cl2F3N2O6 |
| InChI |
InChI=1S/C14H5Cl2F3N2O6/c15-7-1-2-8(9(16)5-7)13(22)27-12-10(20(23)24)3-6(14(17,18)19)4-11(12)21(25)26/h1-5H |
| InChIKey |
IOTWAIXTMVJJIU-UHFFFAOYSA-N |
| Molecular Weight |
425.103 g/mol |
| SMILES |
C=1C(=CC(=C(C1N(=O)=O)OC(=O)C1=C(C=C(C=C1)Cl)Cl)N(=O)=O)C(F)(F)F |
