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3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid, 1-methyl-heptyl ester
SpectraBase Compound ID 5BfYZEmLbr
InChI InChI=1S/C18H25F3O3/c1-4-5-6-8-11-14(2)24-16(22)17(23-3,18(19,20)21)15-12-9-7-10-13-15/h7,9-10,12-14H,4-6,8,11H2,1-3H3
InChIKey NOARLSJJJMBGQZ-UHFFFAOYSA-N
Mol Weight 346.39 g/mol
Molecular Formula C18H25F3O3
Exact Mass 346.175579 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7II2ZHORFky
Name 3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid, 1-methyl-heptyl ester
Alternate Name(s) 1-Methylheptyl 3,3,3-trifluoro-2-methoxy-2-phenyl-propanoate 3,3,3-trifluoro-2-methoxy-2-phenylpropanoic acid octan-2-yl ester Octan-2-yl 3,3,3-trifluoro-2-methoxy-2-phenylpropanoate Octan-2-yl 3,3,3-tris(fluoranyl)-2-methoxy-2-phenyl-propanoate
CAS Registry Number 40121-44-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H25F3O3
InChI InChI=1S/C18H25F3O3/c1-4-5-6-8-11-14(2)24-16(22)17(23-3,18(19,20)21)15-12-9-7-10-13-15/h7,9-10,12-14H,4-6,8,11H2,1-3H3
InChIKey NOARLSJJJMBGQZ-UHFFFAOYSA-N
Molecular Weight 346.390 g/mol
SMILES c1cc(ccc1)C(C(F)(F)F)(C(=O)OC(C)CCCCCC)OC
SPLASH splash10-0abl-9300000000-ef38d0a053db27ff4b10
Wiley ID 1481474