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2-Benzylaniline, N-heptafluorobutyryl-

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2-Benzylaniline, N-heptafluorobutyryl-
SpectraBase Compound ID 42l1nPKq6gQ
InChI InChI=1S/C17H12F7NO/c18-15(19,16(20,21)17(22,23)24)14(26)25-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,25,26)
InChIKey OAYDULNRCLVQGZ-UHFFFAOYSA-N
Mol Weight 379.28 g/mol
Molecular Formula C17H12F7NO
Exact Mass 379.080711 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 2OT0d3oyJhh
Name 2-Benzylaniline, N-heptafluorobutyryl-
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 379.080711150 u
Formula C17H12F7NO
InChI InChI=1S/C17H12F7NO/c18-15(19,16(20,21)17(22,23)24)14(26)25-13-9-5-4-8-12(13)10-11-6-2-1-3-7-11/h1-9H,10H2,(H,25,26)
InChIKey OAYDULNRCLVQGZ-UHFFFAOYSA-N
Molecular Weight 379.278 g/mol
SMILES C1(NC(=O)C(C(C(F)(F)F)(F)F)(F)F)=C(C=CC=C1)CC1=CC=CC=C1
Spectrum/Structure Validation Score (Vapor Phase IR) 0.889046