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(E)-2-chloro-3-(trifluoromethyl)-2-heptenoic acid tert-butyl ester
SpectraBase Compound ID DtcoCDzcyvM
InChI InChI=1S/C12H18ClF3O2/c1-5-6-7-8(12(14,15)16)9(13)10(17)18-11(2,3)4/h5-7H2,1-4H3/b9-8+
InChIKey ATHVTOYUFUWAOK-CMDGGOBGSA-N
Mol Weight 286.72 g/mol
Molecular Formula C12H18ClF3O2
Exact Mass 286.094742 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID L9ezs8Cf3t8
Name (E)-2-chloro-3-(trifluoromethyl)-2-heptenoic acid tert-butyl ester
Alternate Name(s) (E)-2-chloro-3-(trifluoromethyl)hept-2-enoic acid tert-butyl ester tert-Butyl (E)-2-chloranyl-3-(trifluoromethyl)hept-2-enoate tert-Butyl (E)-2-chloro-3-(trifluoromethyl)hept-2-enoate
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Formula C12H18ClF3O2
InChI InChI=1S/C12H18ClF3O2/c1-5-6-7-8(12(14,15)16)9(13)10(17)18-11(2,3)4/h5-7H2,1-4H3/b9-8+
InChIKey ATHVTOYUFUWAOK-CMDGGOBGSA-N
Molecular Weight 286.722 g/mol
SMILES C(\C(=C/(C(F)(F)F)CCCC)Cl)(OC(C)(C)C)=O
SPLASH splash10-0a4i-9020000000-fe3475dae9feac2646d6
Source of Spectrum KC-0-2533-4
Wiley ID 786581