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tert-Butyl (E)-3-(trifluoromethyl)-2-heptenoate
SpectraBase Compound ID CaBxiemyO3C
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-CMDGGOBGSA-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 D7BLgGbf3IF
Name tert-Butyl (E)-3-(trifluoromethyl)-2-heptenoate
Alternate Name(s) tert-Butyl (2E)-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-CMDGGOBGSA-N
Molecular Weight 252.277 g/mol
SMILES C(\C(=C\C(OC(C)(C)C)=O)CCCC)(F)(F)F
SPLASH splash10-0a4i-9210000000-6516bed08e0088295713
Source of Spectrum J-58-4565-4
Wiley ID 1255245