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2-[(trifluoromethyl)seleno]-3-(4-hydroxyphenyl)propanoic acid methyl ester
SpectraBase Compound ID 3E2TJaUUs1i
InChI InChI=1S/C11H11F3O3Se/c1-17-10(16)9(18-11(12,13)14)6-7-2-4-8(15)5-3-7/h2-5,9,15H,6H2,1H3
InChIKey MZLOQYUOOZGPJE-UHFFFAOYSA-N
Mol Weight 327.17 g/mol
Molecular Formula C11H11F3O3Se
Exact Mass 327.982551 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2LPlJZzzBw
Name 2-[(trifluoromethyl)seleno]-3-(4-hydroxyphenyl)propanoic acid methyl ester
Appearance Colorless oil
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Exact Mass 327.982550700 u
Formula C11H11F3O3Se
InChI InChI=1S/C11H11F3O3Se/c1-17-10(16)9(18-11(12,13)14)6-7-2-4-8(15)5-3-7/h2-5,9,15H,6H2,1H3
InChIKey MZLOQYUOOZGPJE-UHFFFAOYSA-N
Instrument Name Varian Saturn 2100 T
Ionization Type EI
Literature Reference DOI 10.1002/chem.201602730
Molecular Weight 327.173 g/mol
Quality 58
Reported Formula C11H11F3O3Se
SMILES OC1=CC=C(CC([Se]C(F)(F)F)C(=O)OC)C=C1
SPLASH splash10-0a6s-0900000000-ab0ba24a35dc020d04a6
Source of Spectrum QE-22-SM29-3j (DOI: 10.1002/chem.201602730)
Wiley ID 1905022