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2-(1,1-Difluorohex-1-en-2-yl)benzaldehyde

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

2-(1,1-Difluorohex-1-en-2-yl)benzaldehyde
SpectraBase Compound ID LGLzaEmfYXQ
InChI InChI=1S/C13H14F2O/c1-2-3-7-12(13(14)15)11-8-5-4-6-10(11)9-16/h4-6,8-9H,2-3,7H2,1H3
InChIKey NXCCUIGZKJDMAI-UHFFFAOYSA-N
Mol Weight 224.25 g/mol
Molecular Formula C13H14F2O
Exact Mass 224.101271 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID FdeFUbJANcO
Name 2-(1,1-Difluorohex-1-en-2-yl)benzaldehyde
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 224.101271396 u
Formula C13H14F2O
InChI InChI=1S/C13H14F2O/c1-2-3-7-12(13(14)15)11-8-5-4-6-10(11)9-16/h4-6,8-9H,2-3,7H2,1H3
InChIKey NXCCUIGZKJDMAI-UHFFFAOYSA-N
Molecular Weight 224.251 g/mol
SMILES C(C=1C(=CC=CC1)C(=C(F)F)CCCC)=O
Spectrum/Structure Validation Score (Vapor Phase IR) 0.938033