SpectraBase Compound ID | IDCJXkpKHZR |
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InChI | InChI=1S/C10H4F7N3O5/c11-8(12,9(13,14)10(15,16)17)7(21)18-5-2-1-4(19(22)23)3-6(5)20(24)25/h1-3H,(H,18,21) |
InChIKey | URKVJKJVRNVZHO-UHFFFAOYSA-N |
Mol Weight | 379.15 g/mol |
Molecular Formula | C10H4F7N3O5 |
Exact Mass | 379.003917 g/mol |
SpectraBase Spectrum ID | KN7v9f18fK3 |
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Name | 2,4-Dinitroaniline, N-heptafluorobutyryl- |
Comments | Computed using HOSE algorithm |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 379.003917377 u |
Formula | C10H4F7N3O5 |
InChI | InChI=1S/C10H4F7N3O5/c11-8(12,9(13,14)10(15,16)17)7(21)18-5-2-1-4(19(22)23)3-6(5)20(24)25/h1-3H,(H,18,21) |
InChIKey | URKVJKJVRNVZHO-UHFFFAOYSA-N |
Molecular Weight | 379.147 g/mol |
SMILES | C1(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=C(C=C1)N(=O)=O)N(=O)=O |