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2-(5-fluoro-3'-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4'-methyl-[1,1'-biphenyl]-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
SpectraBase Compound ID 2VD1tkU7ev2
InChI InChI=1S/C29H25F2NOS/c1-18-4-5-20(26-16-23(31)10-12-25(26)28-32-29(2,3)17-33-28)14-21(18)15-24-11-13-27(34-24)19-6-8-22(30)9-7-19/h4-14,16H,15,17H2,1-3H3
InChIKey MHZZUJCTBXEWSW-UHFFFAOYSA-N
Mol Weight 473.58 g/mol
Molecular Formula C29H25F2NOS
Exact Mass 473.162492 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4e6lGUL2PDS
Name 2-(5-fluoro-3'-((5-(4-fluorophenyl)thiophen-2-yl)methyl)-4'-methyl-[1,1'-biphenyl]-2-yl)-4,4-dimethyl-4,5-dihydrooxazole
Appearance Yellow oil
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Formula C29H25F2NOS
InChI InChI=1S/C29H25F2NOS/c1-18-4-5-20(26-16-23(31)10-12-25(26)28-32-29(2,3)17-33-28)14-21(18)15-24-11-13-27(34-24)19-6-8-22(30)9-7-19/h4-14,16H,15,17H2,1-3H3
InChIKey MHZZUJCTBXEWSW-UHFFFAOYSA-N
Instrument Name FINNIGAN MAT 95Q
Ionization Type EI
Literature Reference DOI 10.1002/anie.202206176
Molecular Weight 473.582 g/mol
Quality 27
Reported Formula C29H25F2NOS
SMILES C1=C(C(=CC(=C1)F)C1=CC=C(C(=C1)CC=1SC(=CC1)C1=CC=C(C=C1)F)C)C=1OCC(N1)(C)C
SPLASH splash10-0006-0920000000-a4714bdc51e385164e76
Source of Spectrum ACI-61-SM43-9y (DOI: 10.1002/anie.202206176)
Wiley ID 1897768