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4,4-Dimethyl-2-(3'-methyl-3-(thiophen-2-yl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole
SpectraBase Compound ID CYiXfoZLgbx
InChI InChI=1S/C22H21NOS/c1-15-7-4-8-16(13-15)17-9-5-10-18(19-11-6-12-25-19)20(17)21-23-22(2,3)14-24-21/h4-13H,14H2,1-3H3
InChIKey IWBQFIFLQUUOCE-UHFFFAOYSA-N
Mol Weight 347.48 g/mol
Molecular Formula C22H21NOS
Exact Mass 347.134385 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2yy87zkYf22
Name 4,4-Dimethyl-2-(3'-methyl-3-(thiophen-2-yl)-[1,1'-biphenyl]-2-yl)-4,5-dihydrooxazole
Appearance Yellow oil
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Exact Mass 347.134385473 u
Formula C22H21NOS
InChI InChI=1S/C22H21NOS/c1-15-7-4-8-16(13-15)17-9-5-10-18(19-11-6-12-25-19)20(17)21-23-22(2,3)14-24-21/h4-13H,14H2,1-3H3
InChIKey IWBQFIFLQUUOCE-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 347.476 g/mol
Reported Formula C22H21NOS
SMILES C1(N=C(OC1)C1=C(C=CC=C1C=1SC=CC1)C1=CC=CC(=C1)C)(C)C
SPLASH splash10-0002-0059000000-ee97bc2560ab453e42da
Source of Spectrum QE-28-SM45-3d (DOI: 10.1002/chem.202103700)
Wiley ID 1898226