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5,7-Di-t-butyl-3-(4-nitrobenzylidene)benzo[b]furan-2(3H)-one isomer
SpectraBase Compound ID Iu1eF0wYaPU
InChI InChI=1S/C23H25NO4/c1-22(2,3)15-12-17-18(11-14-7-9-16(10-8-14)24(26)27)21(25)28-20(17)19(13-15)23(4,5)6/h7-13H,1-6H3/b18-11-
InChIKey XAFDVTPGTQUZIT-WQRHYEAKSA-N
Mol Weight 379.46 g/mol
Molecular Formula C23H25NO4
Exact Mass 379.178358 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LZO4hXxhgce
Name 5,7-Di-t-butyl-3-(4-nitrobenzylidene)benzo[b]furan-2(3H)-one isomer
Alternate Name(s) 5,7-Di-t-butyl-3-(4-nitrobenzylidene)benzo[b]furan-2(3H)-one (3Z)-5,7-ditert-butyl-3-(4-nitrobenzylidene)-1-benzofuran-2(3H)-one
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Formula C23H25NO4
InChI InChI=1S/C23H25NO4/c1-22(2,3)15-12-17-18(11-14-7-9-16(10-8-14)24(26)27)21(25)28-20(17)19(13-15)23(4,5)6/h7-13H,1-6H3/b18-11-
InChIKey XAFDVTPGTQUZIT-WQRHYEAKSA-N
Molecular Weight 379.456 g/mol
SMILES c12c(\C(=C\c3ccc(N(=O)=O)cc3)C(O1)=O)cc(cc2C(C)(C)C)C(C)(C)C
SPLASH splash10-03fr-0009000000-fe56fc6833162f5883b8
Source of Spectrum KC-1992-287-14
Wiley ID 775988