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Butyric acid 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-phenyl ester
SpectraBase Compound ID EuSfzzOlVQg
InChI InChI=1S/C20H20N2O4/c1-2-4-17(24)25-13-9-7-12(8-10-13)18-14(11-21)20(22)26-16-6-3-5-15(23)19(16)18/h7-10,18H,2-6,22H2,1H3
InChIKey NITGLXPUEVJSAN-UHFFFAOYSA-N
Mol Weight 352.39 g/mol
Molecular Formula C20H20N2O4
Exact Mass 352.142307 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2Pw16fK4Ag6
Name Butyric acid 4-(2-amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-phenyl ester
Alternate Name(s) 4-(2-Amino-3-cyano-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)phenyl butyrate Butanoic acid [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydro-1-benzopyran-4-yl)phenyl] ester [4-(2-amino-3-cyano-5-oxo-4,6,7,8-tetrahydrochromen-4-yl)phenyl] butanoate [4-(2-azanyl-3-cyano-5-oxidanylidene-4,6,7,8-tetrahydrochromen-4-yl)phenyl] butanoate
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Formula C20H20N2O4
InChI InChI=1S/C20H20N2O4/c1-2-4-17(24)25-13-9-7-12(8-10-13)18-14(11-21)20(22)26-16-6-3-5-15(23)19(16)18/h7-10,18H,2-6,22H2,1H3
InChIKey NITGLXPUEVJSAN-UHFFFAOYSA-N
Molecular Weight 352.390 g/mol
SMILES NC1=C(C(C2=C(CCCC2=O)O1)c1ccc(OC(=O)CCC)cc1)C#N
SPLASH splash10-001c-6980000000-225ea56d3fb92c5cd025
Wiley ID 1460677