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methyl 3-[4-(trifluoromethyl)phenyl]prop-2-ynoate
SpectraBase Compound ID Lbc05LA4LaE
InChI InChI=1S/C11H7F3O2/c1-16-10(15)7-4-8-2-5-9(6-3-8)11(12,13)14/h2-3,5-6H,1H3
InChIKey VSMLHHSMIMAZPV-UHFFFAOYSA-N
Mol Weight 228.17 g/mol
Molecular Formula C11H7F3O2
Exact Mass 228.039814 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8M2wpyGHG8j
Name methyl 3-[4-(trifluoromethyl)phenyl]prop-2-ynoate
Appearance Off-white solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 228.039813952 u
Formula C11H7F3O2
GC Column HP-5
GC Oven Program Oven temp 300oC
InChI InChI=1S/C11H7F3O2/c1-16-10(15)7-4-8-2-5-9(6-3-8)11(12,13)14/h2-3,5-6H,1H3
InChIKey VSMLHHSMIMAZPV-UHFFFAOYSA-N
Instrument Name GC-MS Agilent 5977B MSD
Ionization Type EI
Literature Reference DOI 10.1002/chem.201800526
Molecular Weight 228.170 g/mol
Quality 15
SMILES COC(C#CC1=CC=C(C=C1)C(F)(F)F)=O
SPLASH splash10-0002-0910000000-43310ffc50d6ff19532c
Source of Spectrum QE-24-SM10-3m (DOI: 10.1002/chem.201800526)
Wiley ID 1900212