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Succinic acid, 2-methylhex-3-yl 1-phenyl-2,2,2-trifluoroethyl ester

View entire compound with spectra: 1 NMR

Succinic acid, 2-methylhex-3-yl 1-phenyl-2,2,2-trifluoroethyl ester
SpectraBase Compound ID Jr7aoy4sh88
InChI InChI=1S/C19H25F3O4/c1-4-8-15(13(2)3)25-16(23)11-12-17(24)26-18(19(20,21)22)14-9-6-5-7-10-14/h5-7,9-10,13,15,18H,4,8,11-12H2,1-3H3
InChIKey PXGXUFPLTBGUQJ-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 9y2LxtLCoW7
Name Succinic acid, 2-methylhex-3-yl 1-phenyl-2,2,2-trifluoroethyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.170493770 u
Formula C19H25F3O4
InChI InChI=1S/C19H25F3O4/c1-4-8-15(13(2)3)25-16(23)11-12-17(24)26-18(19(20,21)22)14-9-6-5-7-10-14/h5-7,9-10,13,15,18H,4,8,11-12H2,1-3H3
InChIKey PXGXUFPLTBGUQJ-UHFFFAOYSA-N
Molecular Weight 374.400 g/mol
SMILES C(CCC(OC(C(F)(F)F)C1=CC=CC=C1)=O)(OC(CCC)C(C)C)=O