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5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl 2,3,4,5,6-pentafluorobenzoate

View entire compound with spectra: 1 NMR

5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl 2,3,4,5,6-pentafluorobenzoate
SpectraBase Compound ID 50gYpszG5eW
InChI InChI=1S/C17H17F5O2/c1-8(2)5-6-10(9(3)4)7-24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h5,10H,3,6-7H2,1-2,4H3
InChIKey YKZZJPBKHDFLTM-UHFFFAOYSA-N
Mol Weight 348.31 g/mol
Molecular Formula C17H17F5O2
Exact Mass 348.114871 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID A84Ys5P6DJi
Name 5-Methyl-2-(prop-1-en-2-yl)hex-4-en-1-yl 2,3,4,5,6-pentafluorobenzoate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 348.114870600 u
Formula C17H17F5O2
InChI InChI=1S/C17H17F5O2/c1-8(2)5-6-10(9(3)4)7-24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h5,10H,3,6-7H2,1-2,4H3
InChIKey YKZZJPBKHDFLTM-UHFFFAOYSA-N
Molecular Weight 348.313 g/mol
SMILES CC(C)=CCC(COC(C1=C(C(=C(F)C(=C1F)F)F)F)=O)C(C)=C