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tert-Butyl (Z)-3-(trifluoromethyl)-2-heptenoate
SpectraBase Compound ID 8UDGJ5X1sY
InChI InChI=1S/C12H19F3O2/c1-5-6-7-9(12(13,14)15)8-10(16)17-11(2,3)4/h8H,5-7H2,1-4H3/b9-8-
InChIKey LBWBLGWRYDHJQV-HJWRWDBZSA-N
Mol Weight 252.28 g/mol
Molecular Formula C12H19F3O2
Exact Mass 252.133714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FT8EBBHROJk
Name tert-Butyl (Z)-3-(trifluoromethyl)-2-heptenoate
Alternate Name(s) tert-Butyl (2Z)-3-(trifluoromethyl)-2-heptenoate
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Formula C12H19F3O2
InChI InChI=1S/C12H19F3O2/c1-5-6-7-9(12(13,14)15)8-10(16)17-11(2,3)4/h8H,5-7H2,1-4H3/b9-8-
InChIKey LBWBLGWRYDHJQV-HJWRWDBZSA-N
Molecular Weight 252.277 g/mol
SMILES C(\C(=C/C(OC(C)(C)C)=O)CCCC)(F)(F)F
SPLASH splash10-004i-0920000000-c7749f84bcec7585ba34
Source of Spectrum J-58-4565-4
Wiley ID 1255246