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trans-3-Trifluoromethylcinnamic acid, 2-methyloct-5-yn-4-yl ester
SpectraBase Compound ID E1JpCefSE27
InChI InChI=1S/C19H21F3O2/c1-4-5-9-17(12-14(2)3)24-18(23)11-10-15-7-6-8-16(13-15)19(20,21)22/h6-8,10-11,13-14,17H,4,12H2,1-3H3/b11-10+
InChIKey KOUQIAYYVYVQOJ-ZHACJKMWSA-N
Mol Weight 338.37 g/mol
Molecular Formula C19H21F3O2
Exact Mass 338.149364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6u40xjiLIma
Name trans-3-Trifluoromethylcinnamic acid, 2-methyloct-5-yn-4-yl ester
Alternate Name(s) (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid 2-methyloct-5-yn-4-yl ester 1-isobutylpent-2-ynyl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate 2-Methyloct-5-yn-4-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate
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Formula C19H21F3O2
InChI InChI=1S/C19H21F3O2/c1-4-5-9-17(12-14(2)3)24-18(23)11-10-15-7-6-8-16(13-15)19(20,21)22/h6-8,10-11,13-14,17H,4,12H2,1-3H3/b11-10+
InChIKey KOUQIAYYVYVQOJ-ZHACJKMWSA-N
Molecular Weight 338.370 g/mol
SMILES c1ccc(cc1\C=C\C(OC(CC(C)C)C#CCC)=O)C(F)(F)F
SPLASH splash10-0002-3910000000-83fdfb23ad89661c03e2
Source of Spectrum NP-12-1506-0
Wiley ID 1110121