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1H-Pyrazole-1-butanoic acid, 5-methyl-3-[[(2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-, methyl ester
SpectraBase Compound ID BVpJby3zX0e
InChI InChI=1S/C19H19N3O5/c1-12-10-16(21-22(12)9-5-8-17(23)26-2)20-18(24)14-11-13-6-3-4-7-15(13)27-19(14)25/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,20,21,24)
InChIKey SCCKIQHCBJDKFV-UHFFFAOYSA-N
Mol Weight 369.38 g/mol
Molecular Formula C19H19N3O5
Exact Mass 369.132471 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyZqMEOQJKi
Name 1H-Pyrazole-1-butanoic acid, 5-methyl-3-[[(2-oxo-2H-1-benzopyran-3-yl)carbonyl]amino]-, methyl ester
Alternate Name(s) Methyl 4-[5-methyl-3-(2-oxo-2H-chromene-3-amido)-1H-pyrazol-1-yl]butanoate 4-[5-methyl-3-[[oxo-(2-oxo-1-benzopyran-3-yl)methyl]amino]-1-pyrazolyl]butanoic acid methyl ester Methyl 4-[5-methyl-3-[(2-oxochromene-3-carbonyl)amino]pyrazol-1-yl]butanoate Methyl 4-[5-methyl-3-[(2-oxidanylidenechromen-3-yl)carbonylamino]pyrazol-1-yl]butanoate
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Formula C19H19N3O5
InChI InChI=1S/C19H19N3O5/c1-12-10-16(21-22(12)9-5-8-17(23)26-2)20-18(24)14-11-13-6-3-4-7-15(13)27-19(14)25/h3-4,6-7,10-11H,5,8-9H2,1-2H3,(H,20,21,24)
InChIKey SCCKIQHCBJDKFV-UHFFFAOYSA-N
Molecular Weight 369.377 g/mol
SMILES N(c1n[n](CCCC(=O)OC)c(c1)C)C(C=1C(Oc2c(C1)cccc2)=O)=O
SPLASH splash10-00di-3930000000-a44a632280b200bdcba6
Source of Spectrum IY-2-4975-4
Wiley ID 1657737