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Glutaric acid, hexyl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID 2AWMOO0zWzV
InChI InChI=1S/C19H25F3O4/c1-2-3-4-8-14-25-16(23)12-9-13-17(24)26-18(19(20,21)22)15-10-6-5-7-11-15/h5-7,10-11,18H,2-4,8-9,12-14H2,1H3
InChIKey WNANFOOTMKQXMW-UHFFFAOYSA-N
Mol Weight 374.4 g/mol
Molecular Formula C19H25F3O4
Exact Mass 374.170494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID HHhENb8Vasc
Name Glutaric acid, hexyl 1-phenyl-2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
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Exact Mass 374.170493770 u
Formula C19H25F3O4
InChI InChI=1S/C19H25F3O4/c1-2-3-4-8-14-25-16(23)12-9-13-17(24)26-18(19(20,21)22)15-10-6-5-7-11-15/h5-7,10-11,18H,2-4,8-9,12-14H2,1H3
InChIKey WNANFOOTMKQXMW-UHFFFAOYSA-N
Molecular Weight 374.400 g/mol
SMILES C(OC(C(F)(F)F)C1=CC=CC=C1)(=O)CCCC(OCCCCCC)=O