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SpectraBase Compound ID | IaMdrneiqJB |
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InChI | InChI=1S/C13H10F7NO3/c1-6(21-10(22)11(14,15)12(16,17)18)4-7-2-3-8-9(5-7)24-13(19,20)23-8/h2-3,5-6H,4H2,1H3,(H,21,22) |
InChIKey | ZPGSPFNAFSHARI-UHFFFAOYSA-N |
Mol Weight | 361.22 g/mol |
Molecular Formula | C13H10F7NO3 |
Exact Mass | 361.05489 g/mol |
SpectraBase Spectrum ID | IPcDMrcNEwJ |
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Name | Dfmda pfp |
Comments | Computed using SmartSpectra Model v1.42 |
Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass | 361.054890324 u |
Formula | C13H10F7NO3 |
InChI | InChI=1S/C13H10F7NO3/c1-6(21-10(22)11(14,15)12(16,17)18)4-7-2-3-8-9(5-7)24-13(19,20)23-8/h2-3,5-6H,4H2,1H3,(H,21,22) |
InChIKey | ZPGSPFNAFSHARI-UHFFFAOYSA-N |
Molecular Weight | 361.216 g/mol |
SMILES | C(C(NC(CC=1C=C2C(OC(O2)(F)F)=CC1)C)=O)(C(F)(F)F)(F)F |
Spectrum/Structure Validation Score (Vapor Phase IR) | 0.875749 |