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Methyl 2-(2-(cyanomethyl)-6-methoxy-4-methylphenyl)-7-methoxy-3-oxo-3H-indene -1-carboxylate
SpectraBase Compound ID rECFB5wjVj
InChI InChI=1S/C22H19NO5/c1-12-10-13(8-9-23)17(16(11-12)27-3)19-20(22(25)28-4)18-14(21(19)24)6-5-7-15(18)26-2/h5-7,10-11H,8H2,1-4H3
InChIKey DKVCFDCDHQRKAE-UHFFFAOYSA-N
Mol Weight 377.4 g/mol
Molecular Formula C22H19NO5
Exact Mass 377.126323 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5QiTXtSE5Bl
Name Methyl 2-(2-(cyanomethyl)-6-methoxy-4-methylphenyl)-7-methoxy-3-oxo-3H-indene -1-carboxylate
Alternate Name(s) Methyl 2-(2-(cyanomethyl)-6-methoxy-4-methylphenyl)-4-methoxy-1-oxo-1H-indene-3-carboxylate 2-[2-(cyanomethyl)-6-methoxy-4-methylphenyl]-7-methoxy-3-oxo-1-indenecarboxylic acid methyl ester Methyl 2-[2-(cyanomethyl)-6-methoxy-4-methylphenyl]-7-methoxy-3-oxoindene-1-carboxylate Methyl 2-[2-(cyanomethyl)-6-methoxy-4-methyl-phenyl]-7-methoxy-3-oxo-indene-1-carboxylate Methyl 2-[2-(cyanomethyl)-6-methoxy-4-methyl-phenyl]-7-methoxy-3-oxidanylidene-indene-1-carboxylate
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Formula C22H19NO5
InChI InChI=1S/C22H19NO5/c1-12-10-13(8-9-23)17(16(11-12)27-3)19-20(22(25)28-4)18-14(21(19)24)6-5-7-15(18)26-2/h5-7,10-11H,8H2,1-4H3
InChIKey DKVCFDCDHQRKAE-UHFFFAOYSA-N
Literature Reference DOI 10.1021/ol0712374
Molecular Weight 377.396 g/mol
SMILES c1cc(c2C(=C(c3c(cc(cc3OC)C)CC#N)C(c2c1)=O)C(OC)=O)OC
SPLASH splash10-004r-0029000000-511b8c2b8eaac2985f1e
Source of Spectrum A1-9-2915/SMS16-20
Wiley ID 1758382