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Glutaric acid, 3-methylbut-2-en-1-yl pentafluorobenzyl ester

View entire compound with spectra: 1 NMR

Glutaric acid, 3-methylbut-2-en-1-yl pentafluorobenzyl ester
SpectraBase Compound ID 5vlWSKAw60w
InChI InChI=1S/C17H17F5O4/c1-9(2)6-7-25-11(23)4-3-5-12(24)26-8-10-13(18)15(20)17(22)16(21)14(10)19/h6H,3-5,7-8H2,1-2H3
InChIKey OVEWEPQOJMWZBS-UHFFFAOYSA-N
Mol Weight 380.31 g/mol
Molecular Formula C17H17F5O4
Exact Mass 380.1047 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID I7k45C2q49o
Name Glutaric acid, 3-methylbut-2-en-1-yl pentafluorobenzyl ester
Comments Computed using HOSE algorithm
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Exact Mass 380.104699838 u
Formula C17H17F5O4
InChI InChI=1S/C17H17F5O4/c1-9(2)6-7-25-11(23)4-3-5-12(24)26-8-10-13(18)15(20)17(22)16(21)14(10)19/h6H,3-5,7-8H2,1-2H3
InChIKey OVEWEPQOJMWZBS-UHFFFAOYSA-N
Molecular Weight 380.311 g/mol
SMILES C(CCC(OCC=C(C)C)=O)C(OCC1=C(C(=C(C(=C1F)F)F)F)F)=O