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N-Hexyl-2,2-difluorohexanoate
SpectraBase Compound ID WjbHBLvyUW
InChI InChI=1S/C12H22F2O2/c1-3-5-7-8-10-16-11(15)12(13,14)9-6-4-2/h3-10H2,1-2H3
InChIKey WUURLKIWDYPHQI-UHFFFAOYSA-N
Mol Weight 236.3 g/mol
Molecular Formula C12H22F2O2
Exact Mass 236.158786 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Ji1Mq6ZDZo4
Name Hexyl 2,2-difluorohexanoate
Carrier Gas (0.74 ml/min)
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 236.158786272 u
Formula C12H22F2O2
GC Column Zebron ZB-5MS (20 m x 0.18 mm, film thickness 0.18 micrometer)
GC Oven Program Oven temp 280oC
InChI InChI=1S/C12H22F2O2/c1-3-5-7-8-10-16-11(15)12(13,14)9-6-4-2/h3-10H2,1-2H3
InChIKey WUURLKIWDYPHQI-UHFFFAOYSA-N
Inlet Type Split (10.0)
Instrument Name Shimadzu QP2012-SE
Ionization Type EI
Literature Reference DOI 10.1002/chem.202201135
Molecular Weight 236.303 g/mol
Quality 167
SMILES C(C(C(OCCCCCC)=O)(F)F)CCC
SPLASH splash10-0006-9000000000-58e3cf09cdb44ae11b5e
Source of Spectrum QE-28-SM53-Figure S 28-2 (DOI: 10.1002/chem.202201135)
Wiley ID 1900615