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N-Benzyl-heptafluoro butanamide

View entire compound with spectra: 1 NMR, 1 FTIR, and 5 MS (GC)

N-Benzyl-heptafluoro butanamide
SpectraBase Compound ID AzWOjNMSBLx
InChI InChI=1S/C11H8F7NO/c12-9(13,10(14,15)11(16,17)18)8(20)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,19,20)
InChIKey JGYHLDPCXQPJCA-UHFFFAOYSA-N
Mol Weight 303.18 g/mol
Molecular Formula C11H8F7NO
Exact Mass 303.049411 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID APcmZqd5Bg7
Name N-Benzyl-heptafluorobutanamide
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 303.049411022 u
Formula C11H8F7NO
InChI InChI=1S/C11H8F7NO/c12-9(13,10(14,15)11(16,17)18)8(20)19-6-7-4-2-1-3-5-7/h1-5H,6H2,(H,19,20)
InChIKey JGYHLDPCXQPJCA-UHFFFAOYSA-N
Molecular Weight 303.180 g/mol
SMILES C1=CC=CC(=C1)CNC(C(C(C(F)(F)F)(F)F)(F)F)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.819877