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2'-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)-[1,1'-biphenyl]-4-carbonitrile
SpectraBase Compound ID EJxwlJSHkox
InChI InChI=1S/C18H16N2O/c1-18(2)12-21-17(20-18)16-6-4-3-5-15(16)14-9-7-13(11-19)8-10-14/h3-10H,12H2,1-2H3
InChIKey CLMVRMMWKARDNE-UHFFFAOYSA-N
Mol Weight 276.34 g/mol
Molecular Formula C18H16N2O
Exact Mass 276.126263 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2rmVKzLD2jL
Name 2'-(4,4-Dimethyl-4,5-dihydrooxazol-2-yl)-[1,1'-biphenyl]-4-carbonitrile
Appearance Brown solid
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Exact Mass 276.126263142 u
Formula C18H16N2O
InChI InChI=1S/C18H16N2O/c1-18(2)12-21-17(20-18)16-6-4-3-5-15(16)14-9-7-13(11-19)8-10-14/h3-10H,12H2,1-2H3
InChIKey CLMVRMMWKARDNE-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q or HEWLETT-PACKARD HP 6890-MSD 5973
Ionization Type EI
Literature Reference DOI 10.1002/chem.202103700
Molecular Weight 276.339 g/mol
Quality 3
Reported Formula C18H16N2O
SMILES C1=C(C(=CC=C1)C1=CC=C(C=C1)C#N)C=1OCC(N1)(C)C
SPLASH splash10-0fb9-0290000000-ac99efe563144cc66e4f
Source of Spectrum QE-28-SM23-2d (DOI: 10.1002/chem.202103700)
Wiley ID 1898206