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3-Trifluoromethylbenzoic acid, pent-2-en-4-ynyl ester
SpectraBase Compound ID 6nRJh5fzxBf
InChI InChI=1S/C13H9F3O2/c1-2-3-4-8-18-12(17)10-6-5-7-11(9-10)13(14,15)16/h1,3-7,9H,8H2
InChIKey FJVUIZZYAQJBAJ-UHFFFAOYSA-N
Mol Weight 254.21 g/mol
Molecular Formula C13H9F3O2
Exact Mass 254.055464 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID C92mVf5sIQu
Name 3-Trifluoromethylbenzoic acid, pent-2-en-4-ynyl ester
Alternate Name(s) Pent-2-en-4-ynyl 3-(trifluoromethyl)benzoate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H9F3O2
InChI InChI=1S/C13H9F3O2/c1-2-3-4-8-18-12(17)10-6-5-7-11(9-10)13(14,15)16/h1,3-7,9H,8H2
InChIKey FJVUIZZYAQJBAJ-UHFFFAOYSA-N
Molecular Weight 254.208 g/mol
SMILES c1(cccc(c1)C(OCC=CC#C)=O)C(F)(F)F
SPLASH splash10-00di-1900000000-e2ce213facaeddcde379
Source of Spectrum NP-7-3319-0
Wiley ID 1106437