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5-(2-Methoxyphenyl)-3-(trifluoromethyl)pent-4-ynenitrile
SpectraBase Compound ID GfF4d18xB2q
InChI InChI=1S/C13H10F3NO/c1-18-12-5-3-2-4-10(12)6-7-11(8-9-17)13(14,15)16/h2-5,11H,8H2,1H3
InChIKey BNPZZNGVOVXKMF-UHFFFAOYSA-N
Mol Weight 253.22 g/mol
Molecular Formula C13H10F3NO
Exact Mass 253.071448 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CJ6yClIsoc8
Name 5-(2-Methoxyphenyl)-3-(trifluoromethyl)pent-4-ynenitrile
Appearance Brown oil
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Formula C13H10F3NO
InChI InChI=1S/C13H10F3NO/c1-18-12-5-3-2-4-10(12)6-7-11(8-9-17)13(14,15)16/h2-5,11H,8H2,1H3
InChIKey BNPZZNGVOVXKMF-UHFFFAOYSA-N
Instrument Name HRMS
Ionization Type EI
Literature Reference DOI 10.1021/acs.orglett.1c01988
Molecular Weight 253.224 g/mol
Reported Formula C13H10F3NO
SMILES c1c(c(C#CC(C(F)(F)F)CC#N)ccc1)OC
SPLASH splash10-0udi-1970000000-760107c92483d0996967
Source of Spectrum A1-23-SM67-4c
Wiley ID 1870250