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3,3,3-Trifluoro-2-methoxy-2-phenylpropionic acid, 3-hydroxy-3-methylheptyl ester

View entire compound with spectra: 1 NMR, and 2 MS (GC)

3,3,3-Trifluoro-2-methoxy-2-phenylpropionic acid, 3-hydroxy-3-methylheptyl ester
SpectraBase Compound ID G8TLqjihR1e
InChI InChI=1S/C18H25F3O4/c1-4-5-11-16(2,23)12-13-25-15(22)17(24-3,18(19,20)21)14-9-7-6-8-10-14/h6-10,23H,4-5,11-13H2,1-3H3
InChIKey MMXGGCNHWFLKLD-UHFFFAOYSA-N
Mol Weight 362.39 g/mol
Molecular Formula C18H25F3O4
Exact Mass 362.170494 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7RyZGvVC79x
Name 3,3,3-Trifluoro-2-methoxy-2-phenylpropionic acid, 3-hydroxy-3-methylheptyl ester
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.170493770 u
Formula C18H25F3O4
InChI InChI=1S/C18H25F3O4/c1-4-5-11-16(2,23)12-13-25-15(22)17(24-3,18(19,20)21)14-9-7-6-8-10-14/h6-10,23H,4-5,11-13H2,1-3H3
InChIKey MMXGGCNHWFLKLD-UHFFFAOYSA-N
Molecular Weight 362.389 g/mol
SMILES C1=CC(=CC=C1)C(OC)(C(=O)OCCC(O)(C)CCCC)C(F)(F)F