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Methyl 3-perfluoropropyl-4-(o-tolyl)but-3-enoate
SpectraBase Compound ID J4tGbFQjX64
InChI InChI=1S/C15H13F7O2/c1-9-5-3-4-6-10(9)7-11(8-12(23)24-2)13(16,17)14(18,19)15(20,21)22/h3-7H,8H2,1-2H3/b11-7+
InChIKey MCZSOBJKDNWVTR-YRNVUSSQSA-N
Mol Weight 358.26 g/mol
Molecular Formula C15H13F7O2
Exact Mass 358.080377 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B0WyDahErD6
Name Methyl 3-perfluoropropyl-4-(o-tolyl)but-3-enoate
Alternate Name(s) Methyl (3E)-3-(1,1,2,2,3,3,3-heptafluoropropyl)-4-(2-methylphenyl)-3-butenoate
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Formula C15H13F7O2
InChI InChI=1S/C15H13F7O2/c1-9-5-3-4-6-10(9)7-11(8-12(23)24-2)13(16,17)14(18,19)15(20,21)22/h3-7H,8H2,1-2H3/b11-7+
InChIKey MCZSOBJKDNWVTR-YRNVUSSQSA-N
Molecular Weight 358.256 g/mol
SMILES C(C(\C(=C\c1c(C)cccc1)CC(=O)OC)(F)F)(C(F)(F)F)(F)F
SPLASH splash10-0a5a-3921000000-ae3017cde9d5d2df61ef
Source of Spectrum KC-1991-1373-8
Wiley ID 1346796