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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

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7xnWbuFhG48
Name 3,3,3-Trifluoro-2-methoxy-2-phenylpropionic acid, 3-hydroxy-3-methylheptyl ester
Alternate Name(s) (3-hydroxy-3-methyl-heptyl) 3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate (3-methyl-3-oxidanyl-heptyl) 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid (3-hydroxy-3-methylheptyl) ester (3-hydroxy-3-methylheptyl) 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate
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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 OC(CCOC(C(c1ccccc1)(C(F)(F)F)OC)=O)(C)CCCC
SPLASH splash10-059f-9600000000-99e65253ce8d8c82b5b9
Wiley ID 1474539