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ethyl (E)-[5-(4-chlorophenyl)-6-oxo-3,4,5,6-tetrahydrophenanthridin-1(2H)-ylidene]acetate
SpectraBase Compound ID 9PB7UBNyGHs
InChI InChI=1S/C23H20ClNO3/c1-2-28-21(26)14-15-6-5-9-20-22(15)18-7-3-4-8-19(18)23(27)25(20)17-12-10-16(24)11-13-17/h3-4,7-8,10-14H,2,5-6,9H2,1H3/b15-14+
InChIKey YHLMEPTWSAFWSX-CCEZHUSRSA-N
Mol Weight 393.87 g/mol
Molecular Formula C23H20ClNO3
Exact Mass 393.113171 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JPTJUuMXf82
Name ethyl (E)-[5-(4-chlorophenyl)-6-oxo-3,4,5,6-tetrahydrophenanthridin-1(2H)-ylidene]acetate
Alternate Name(s) (2E)-2-[5-(4-chlorophenyl)-6-oxo-3,4-dihydro-2H-phenanthridin-1-ylidene]acetic acid ethyl ester ethyl (2E)-2-[5-(4-chlorophenyl)-6-oxo-3,4-dihydro-2H-phenanthridin-1-ylidene]acetate ethyl (2E)-2-[5-(4-chlorophenyl)-6-oxidanylidene-3,4-dihydro-2H-phenanthridin-1-ylidene]ethanoate
Comments Less than 3 mono-isotopic peaks
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Formula C23H20ClNO3
InChI InChI=1S/C23H20ClNO3/c1-2-28-21(26)14-15-6-5-9-20-22(15)18-7-3-4-8-19(18)23(27)25(20)17-12-10-16(24)11-13-17/h3-4,7-8,10-14H,2,5-6,9H2,1H3/b15-14+
InChIKey YHLMEPTWSAFWSX-CCEZHUSRSA-N
Molecular Weight 393.870 g/mol
SMILES C1(N(C2=C(c3ccccc13)\C(CCC2)=C\C(=O)OCC)c1ccc(cc1)Cl)=O
SPLASH splash10-0002-0009000000-9664ef26ac6b441348ec
Source of Spectrum U1-2012-105-10e
Wiley ID 1703155