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(E) and (Z)-tert-Butyl 2-chloro-5-phenyl-3-(trifluoromethyl)pent-2-en-4-ynoate
SpectraBase Compound ID kTVIyT8Rai
InChI InChI=1S/C16H14ClF3O2/c1-15(2,3)22-14(21)13(17)12(16(18,19)20)10-9-11-7-5-4-6-8-11/h4-8H,1-3H3/b13-12+
InChIKey IVPHZQAFOYTWAA-OUKQBFOZSA-N
Mol Weight 330.73 g/mol
Molecular Formula C16H14ClF3O2
Exact Mass 330.063442 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID K1mXANTwjQ8
Name (E) and (Z)-tert-Butyl 2-chloro-5-phenyl-3-(trifluoromethyl)pent-2-en-4-ynoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H14ClF3O2
InChI InChI=1S/C16H14ClF3O2/c1-15(2,3)22-14(21)13(17)12(16(18,19)20)10-9-11-7-5-4-6-8-11/h4-8H,1-3H3/b13-12+
InChIKey IVPHZQAFOYTWAA-OUKQBFOZSA-N
Molecular Weight 330.734 g/mol
SMILES C(\C(=C\(C(OC(C)(C)C)=O)Cl)C(F)(F)F)#Cc1ccccc1
SPLASH splash10-0a4i-9031000000-0d4d006866431093dc2d
Source of Spectrum KC-0-2533-4
Synonyms tert-Butyl (2E)-2-chloro-5-phenyl-3-(trifluoromethyl)-2-penten-4-ynoate
Wiley ID 786579