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Succinic acid, 2-methylhex-3-yl 1-(pentafluorophenyl)ethyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-methylhex-3-yl 1-(pentafluorophenyl)ethyl ester
SpectraBase Compound ID RbddD4B9RA
InChI InChI=1S/C19H23F5O4/c1-5-6-11(9(2)3)28-13(26)8-7-12(25)27-10(4)14-15(20)17(22)19(24)18(23)16(14)21/h9-11H,5-8H2,1-4H3
InChIKey CBQNEOVMLLYTJW-UHFFFAOYSA-N
Mol Weight 410.38 g/mol
Molecular Formula C19H23F5O4
Exact Mass 410.15165 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID EtM1dp4p5FY
Name Succinic acid, 2-methylhex-3-yl 1-(pentafluorophenyl)ethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 410.151650032 u
Formula C19H23F5O4
InChI InChI=1S/C19H23F5O4/c1-5-6-11(9(2)3)28-13(26)8-7-12(25)27-10(4)14-15(20)17(22)19(24)18(23)16(14)21/h9-11H,5-8H2,1-4H3
InChIKey CBQNEOVMLLYTJW-UHFFFAOYSA-N
Molecular Weight 410.381 g/mol
SMILES C1(=C(C(=C(C(=C1F)F)C(OC(=O)CCC(OC(CCC)C(C)C)=O)C)F)F)F