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2-(4-tert-butylphenyl)-N-[(5-nitro-2-thienyl)methylidene]-1,3-benzoxazol-5-amine
SpectraBase Compound ID CpJ7pBJGPUW
InChI InChI=1S/C22H19N3O3S/c1-22(2,3)15-6-4-14(5-7-15)21-24-18-12-16(8-10-19(18)28-21)23-13-17-9-11-20(29-17)25(26)27/h4-13H,1-3H3/b23-13+
InChIKey XMBRNFVTJZJVPE-YDZHTSKRSA-N
Mol Weight 405.47 g/mol
Molecular Formula C22H19N3O3S
Exact Mass 405.114713 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5cS8LfcsS8a
Name 2-(4-tert-butylphenyl)-N-[(5-nitro-2-thienyl)methylidene]-1,3-benzoxazol-5-amine
Alternate Name(s) 2-(4-tert-butylphenyl)-N-[(E)-(5-nitro-2-thienyl)methylidene]-1,3-benzoxazol-5-amine N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-N-[(5-nitro-2-thienyl)methylidene]amine N-[2-(4-tert-butylphenyl)-1,3-benzoxazol-5-yl]-N-[(E)-(5-nitro-2-thienyl)methylidene]amine [2-(4-tert-butyl-phenyl)-benzooxazol-5-yl]-(5-nitro-thiophen-2-ylmethylene)-amine
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Formula C22H19N3O3S
InChI InChI=1S/C22H19N3O3S/c1-22(2,3)15-6-4-14(5-7-15)21-24-18-12-16(8-10-19(18)28-21)23-13-17-9-11-20(29-17)25(26)27/h4-13H,1-3H3/b23-13+
InChIKey XMBRNFVTJZJVPE-YDZHTSKRSA-N
Molecular Weight 405.472 g/mol
SMILES c12ccc(cc2nc(o1)-c1ccc(cc1)C(C)(C)C)\N=C\c1sc(cc1)N(=O)=O
SPLASH splash10-0006-9310000000-8f27b31cda2a8e236996
Wiley ID 1438386