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3-((3-(1,3-dioxolan-2-yl)-2,5,6-trifluorophenyl)ethynyl)pyridine
SpectraBase Compound ID 7mWqJja58QR
InChI InChI=1S/C16H10F3NO2/c17-13-8-12(16-21-6-7-22-16)14(18)11(15(13)19)4-3-10-2-1-5-20-9-10/h1-2,5,8-9,16H,6-7H2
InChIKey IBFGKMGJSMLLDO-UHFFFAOYSA-N
Mol Weight 305.26 g/mol
Molecular Formula C16H10F3NO2
Exact Mass 305.066363 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A4XMEVKQGAc
Name 3-((3-(1,3-dioxolan-2-yl)-2,5,6-trifluorophenyl)ethynyl)pyridine
Appearance Yellow solid
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Formula C16H10F3NO2
InChI InChI=1S/C16H10F3NO2/c17-13-8-12(16-21-6-7-22-16)14(18)11(15(13)19)4-3-10-2-1-5-20-9-10/h1-2,5,8-9,16H,6-7H2
InChIKey IBFGKMGJSMLLDO-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202206176
Molecular Weight 305.256 g/mol
Reported Formula C16H10F3NO2
SMILES C=1(F)C(=CC(C2OCCO2)=C(F)C1C#CC1=CC=CN=C1)F
SPLASH splash10-0uec-9278000000-3d2dc51bb2539b945189
Source of Spectrum ACI-61-SM34-9p (DOI: 10.1002/anie.202206176)
Wiley ID 1897760