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Dfmda pfp
SpectraBase Compound ID IaMdrneiqJB
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
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Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID IPcDMrcNEwJ
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
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