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Methyl (2E,4Z)-4-(2-hydroxyethyl)-5-(4-(trifluoromethyl)phenyl)hexa-2,4-dienoate
SpectraBase Compound ID KnWqIEDZhjB
InChI InChI=1S/C16H17F3O3/c1-11(13(9-10-20)5-8-15(21)22-2)12-3-6-14(7-4-12)16(17,18)19/h3-8,20H,9-10H2,1-2H3/b8-5+,13-11+
InChIKey ORWNPHBHZWUJMB-PGMBSLALSA-N
Mol Weight 314.3 g/mol
Molecular Formula C16H17F3O3
Exact Mass 314.112979 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 95z0hWjGqRh
Name Methyl (2E,4Z)-4-(2-hydroxyethyl)-5-(4-(trifluoromethyl)phenyl)hexa-2,4-dienoate
Appearance Colorless oil
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Exact Mass 314.112978893 u
Formula C16H17F3O3
InChI InChI=1S/C16H17F3O3/c1-11(13(9-10-20)5-8-15(21)22-2)12-3-6-14(7-4-12)16(17,18)19/h3-8,20H,9-10H2,1-2H3/b8-5+,13-11+
InChIKey ORWNPHBHZWUJMB-PGMBSLALSA-N
Instrument Name Finnigan MAT 8200
Ionization Type EI
Literature Reference DOI 10.1002/chem.201803360
Molecular Weight 314.304 g/mol
Quality 347
Reported Formula C16H17F3O3
SMILES OCC\C(\C=C\C(OC)=O)=C/(C)C1=CC=C(C=C1)C(F)(F)F
SPLASH splash10-03dm-0940000000-166dffc340257db21c18
Source of Spectrum QE-24-SM10-43 (DOI: 10.1002/chem.201803360)
Wiley ID 1901840