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(1E)-2-(5-bicyclo[2.2.1]hept-2-enyl)-1-(3-morpholin-4-yl-5-nitro-3H-1-benzofuran-2-ylidene)propan-2-ol
SpectraBase Compound ID C8SEni5YFKU
InChI InChI=1S/C22H26N2O5/c1-22(25,18-11-14-2-3-15(18)10-14)13-20-21(23-6-8-28-9-7-23)17-12-16(24(26)27)4-5-19(17)29-20/h2-5,12-15,18,21,25H,6-11H2,1H3/b20-13+/t14-,15+,18?,21?,22?/m1/s1
InChIKey PSHLMLNENHNYFX-HOSTXYFYSA-N
Mol Weight 398.46 g/mol
Molecular Formula C22H26N2O5
Exact Mass 398.184172 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 40AwCqEV00Z
Name (1E)-2-(5-bicyclo[2.2.1]hept-2-enyl)-1-(3-morpholin-4-yl-5-nitro-3H-1-benzofuran-2-ylidene)propan-2-ol
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Formula C22H26N2O5
InChI InChI=1S/C22H26N2O5/c1-22(25,18-11-14-2-3-15(18)10-14)13-20-21(23-6-8-28-9-7-23)17-12-16(24(26)27)4-5-19(17)29-20/h2-5,12-15,18,21,25H,6-11H2,1H3/b20-13+/t14-,15+,18?,21?,22?/m1/s1
InChIKey PSHLMLNENHNYFX-HOSTXYFYSA-N
Molecular Weight 398.459 g/mol
SMILES OC(\C=C/1C(c2cc(N(=O)=O)ccc2O1)N1CCOCC1)(C1[C@]2(C=C[C@@](C1)(C2)[H])[H])C
SPLASH splash10-0aor-9366000000-abd5b8d6b8b0916b4823
Synonyms (1E)-2-(5-bicyclo[2.2.1]hept-2-enyl)-1-(3-morpholino-5-nitro-3H-benzofuran-2-ylidene)propan-2-ol (1E)-2-(5-bicyclo[2.2.1]hept-2-enyl)-1-(3-morpholino-5-nitro-coumaran-2-ylidene)propan-2-ol (1E)-2-(5-bicyclo[2.2.1]hept-2-enyl)-1-[3-(4-morpholinyl)-5-nitro-3H-benzofuran-2-ylidene]-2-propanol
Wiley ID 1446598