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(2E,5E)-Ethyl 3-trifluoromethylhepta-2,5-dienoate
SpectraBase Compound ID 4BxmLZfYbsK
InChI InChI=1S/C10H13F3O2/c1-3-5-6-8(10(11,12)13)7-9(14)15-4-2/h3,5,7H,4,6H2,1-2H3/b5-3+,8-7+
InChIKey ZFHXFJKVKFFNPC-VSAQMIDASA-N
Mol Weight 222.21 g/mol
Molecular Formula C10H13F3O2
Exact Mass 222.086764 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JA5sCYMJLGh
Name (2E,5E)-Ethyl 3-trifluoromethylhepta-2,5-dienoate
Alternate Name(s) (2E,5E)-ethyl 3-(trifluoromethyl)hepta-2,5-dienoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H13F3O2
InChI InChI=1S/C10H13F3O2/c1-3-5-6-8(10(11,12)13)7-9(14)15-4-2/h3,5,7H,4,6H2,1-2H3/b5-3+,8-7+
InChIKey ZFHXFJKVKFFNPC-VSAQMIDASA-N
Literature Reference DOI 10.1002/adsc.200900828
Molecular Weight 222.207 g/mol
SMILES C\C=C\C\C(=C/C(OCC)=O)C(F)(F)F
SPLASH splash10-004i-3900000000-ce2a0622cfb489942dad
Source of Spectrum ASC-352-949/SM5-3d
Wiley ID 1764310