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3-Butyl-7-[2-(4-chlorophenyl)-2-keto-ethoxy]-4-methyl-coumarin
SpectraBase Compound ID 4YspZKkENjD
InChI InChI=1S/C22H21ClO4/c1-3-4-5-19-14(2)18-11-10-17(12-21(18)27-22(19)25)26-13-20(24)15-6-8-16(23)9-7-15/h6-12H,3-5,13H2,1-2H3
InChIKey QPIIKNZBVNKGKZ-UHFFFAOYSA-N
Mol Weight 384.86 g/mol
Molecular Formula C22H21ClO4
Exact Mass 384.112837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CQHOYa5mWkk
Name 3-Butyl-7-[2-(4-chlorophenyl)-2-keto-ethoxy]-4-methyl-coumarin
Alternate Name(s) 3-Butyl-7-[2-(4-chlorophenyl)-2-oxidanylidene-ethoxy]-4-methyl-chromen-2-one 3-Butyl-7-[2-(4-chlorophenyl)-2-oxoethoxy]-4-methyl-1-benzopyran-2-one 3-Butyl-7-[2-(4-chlorophenyl)-2-oxoethoxy]-4-methyl-2H-chromen-2-one 3-Butyl-7-[2-(4-chlorophenyl)-2-oxoethoxy]-4-methylchromen-2-one
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Formula C22H21ClO4
InChI InChI=1S/C22H21ClO4/c1-3-4-5-19-14(2)18-11-10-17(12-21(18)27-22(19)25)26-13-20(24)15-6-8-16(23)9-7-15/h6-12H,3-5,13H2,1-2H3
InChIKey QPIIKNZBVNKGKZ-UHFFFAOYSA-N
Molecular Weight 384.859 g/mol
SMILES C1(C(=C(C)c2c(O1)cc(OCC(c1ccc(cc1)Cl)=O)cc2)CCCC)=O
SPLASH splash10-000f-4904000000-a666146e3c693a1285d5
Wiley ID 1451569