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4-Butoxy-4-methoxy-4-(1,1,2,2,2-pentafluoroethyl)-2,5-cyclohexadienone

View entire compound with spectra: 1 MS (GC)

4-Butoxy-4-methoxy-4-(1,1,2,2,2-pentafluoroethyl)-2,5-cyclohexadienone
SpectraBase Compound ID GauCp5LUMWK
InChI InChI=1S/C13H17F5O3/c1-3-4-9-21-11(20-2)7-5-10(19,6-8-11)12(14,15)13(16,17)18/h5-8,19H,3-4,9H2,1-2H3
InChIKey DAXGEDZZPHSXSM-UHFFFAOYSA-N
Mol Weight 316.27 g/mol
Molecular Formula C13H17F5O3
Exact Mass 316.109785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID AjZJwAaY41N
Name 4-Butoxy-4-methoxy-4-(1,1,2,2,2-pentafluoroethyl)-2,5-cyclohexadienone
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H17F5O3
InChI InChI=1S/C13H17F5O3/c1-3-4-9-21-11(20-2)7-5-10(19,6-8-11)12(14,15)13(16,17)18/h5-8,19H,3-4,9H2,1-2H3
InChIKey DAXGEDZZPHSXSM-UHFFFAOYSA-N
Molecular Weight 316.268 g/mol
SMILES OC1(C(C(F)(F)F)(F)F)C=CC(C=C1)(OC)OCCCC
SPLASH splash10-006x-1590000000-e11f4664990ed48d8460
Source of Spectrum C-116-11688-35
Wiley ID 1316377