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3H-pyrazol-3-one, 4-[2-(3-butyl-5-phenyl-2(3H)-benzoxazolylidene)ethylidene]-2,4-dihydro-5-methyl-2-phenyl-
SpectraBase Compound ID AQRHbYDwjXO
InChI InChI=1S/C29H27N3O2/c1-3-4-19-31-26-20-23(22-11-7-5-8-12-22)15-17-27(26)34-28(31)18-16-25-21(2)30-32(29(25)33)24-13-9-6-10-14-24/h5-18,20H,3-4,19H2,1-2H3/b25-16+,28-18-
InChIKey GHTHZUFUOIYVNN-FLCBZNRWSA-N
Mol Weight 449.55 g/mol
Molecular Formula C29H27N3O2
Exact Mass 449.210327 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FgvGdS42JKp
Name 3H-pyrazol-3-one, 4-[2-(3-butyl-5-phenyl-2(3H)-benzoxazolylidene)ethylidene]-2,4-dihydro-5-methyl-2-phenyl-
Alternate Name(s) 4-(2-(3-butyl-5-phenylbenzo[d]oxazol-2(3H)-ylidene)ethylidene)-3-methyl-1-phenyl-1H-pyrazol-5(4H)-one 4-[2-(3-butyl-5-phenyl-1,3-benzoxazol-2-ylidene)ethylidene]-5-methyl-2-phenyl-3-pyrazolone 4-[2-(3-butyl-5-phenyl-1,3-benzoxazol-2-ylidene)ethylidene]-5-methyl-2-phenylpyrazol-3-one 4-[2-(3-butyl-5-phenyl-1,3-benzoxazol-2-ylidene)ethylidene]-5-methyl-2-phenyl-pyrazol-3-one
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Formula C29H27N3O2
InChI InChI=1S/C29H27N3O2/c1-3-4-19-31-26-20-23(22-11-7-5-8-12-22)15-17-27(26)34-28(31)18-16-25-21(2)30-32(29(25)33)24-13-9-6-10-14-24/h5-18,20H,3-4,19H2,1-2H3/b25-16+,28-18-
InChIKey GHTHZUFUOIYVNN-FLCBZNRWSA-N
Molecular Weight 449.554 g/mol
SMILES CCCCN1\C(Oc2ccc(cc12)-c1ccccc1)=C\C=C/1C(=NN(C1=O)c1ccccc1)C
SPLASH splash10-002e-9120400000-e59e1137523fb1c2df03
Source of Spectrum JX-2015-4-602
Wiley ID 1726027