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N-Ethylaniline, N-heptafluorobutyryl-

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N-Ethylaniline, N-heptafluorobutyryl-
SpectraBase Compound ID LwAfPqveLI8
InChI InChI=1S/C12H10F7NO/c1-2-20(8-6-4-3-5-7-8)9(21)10(13,14)11(15,16)12(17,18)19/h3-7H,2H2,1H3
InChIKey NPJLRNGTVNKJOH-UHFFFAOYSA-N
Mol Weight 317.21 g/mol
Molecular Formula C12H10F7NO
Exact Mass 317.065061 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 86Ycvf9qFv5
Name N-Ethylaniline, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 317.065061086 u
Formula C12H10F7NO
InChI InChI=1S/C12H10F7NO/c1-2-20(8-6-4-3-5-7-8)9(21)10(13,14)11(15,16)12(17,18)19/h3-7H,2H2,1H3
InChIKey NPJLRNGTVNKJOH-UHFFFAOYSA-N
Molecular Weight 317.207 g/mol
SMILES C1=C(C=CC=C1)N(CC)C(=O)C(C(F)(C(F)(F)F)F)(F)F
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914367