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4-Ethyl-4-fluorohexyl benzoate

View entire compound with spectra: 1 MS (GC)

4-Ethyl-4-fluorohexyl benzoate
SpectraBase Compound ID 7xARFAwKDFA
InChI InChI=1S/C15H21FO2/c1-3-15(16,4-2)11-8-12-18-14(17)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3
InChIKey WYRSYAYCLFCRQH-UHFFFAOYSA-N
Mol Weight 252.33 g/mol
Molecular Formula C15H21FO2
Exact Mass 252.152558 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7rPUGJxp7Eb
Name 4-Ethyl-4-fluorohexyl benzoate
Appearance Colorless oil
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 252.152558077 u
Formula C15H21FO2
InChI InChI=1S/C15H21FO2/c1-3-15(16,4-2)11-8-12-18-14(17)13-9-6-5-7-10-13/h5-7,9-10H,3-4,8,11-12H2,1-2H3
InChIKey WYRSYAYCLFCRQH-UHFFFAOYSA-N
Ionization Type EI
Literature Reference DOI 10.1002/anie.201708197
Molecular Weight 252.329 g/mol
Quality 204
Reported Formula C15H21FO2
SMILES C(CCCOC(C1=CC=CC=C1)=O)(F)(CC)CC
SPLASH splash10-0c00-3900000000-fe96c4857ce678cb28b9
Source of Spectrum ACI-56-SM23-1p (DOI: 10.1002/anie.201708197)
Wiley ID 1896558