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2H-1-benzopyran-2-one, 3,4-dihydro-6-hydroxy-4,4-dimethyl-7-pentadecyl-
SpectraBase Compound ID Fo4q3prk42O
InChI InChI=1S/C18H15ClN4O5/c1-27-17(25)10-6-11(18(26)28-2)8-12(7-10)21-14-9-15(24)23(22-14)13-4-3-5-20-16(13)19/h3-8H,9H2,1-2H3,(H,21,22)
InChIKey UKLTUWPFAHILHL-UHFFFAOYSA-N
Mol Weight 402.79 g/mol
Molecular Formula C18H15ClN4O5
Exact Mass 402.073097 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9fFoj74jMna
Name 2H-1-benzopyran-2-one, 3,4-dihydro-6-hydroxy-4,4-dimethyl-7-pentadecyl-
Alternate Name(s) Dimethyl 5-((1-(2-chloropyridin-3-yl)-5-oxo-4,5-dihydro-1H-pyrazol-3-yl)amino)isophthalate 6-Hydroxy-4,4-dimethyl-7-pentadecyl-3,4-dihydro-2H-chromen-2-one 5-[[1-(2-chloro-3-pyridinyl)-5-oxo-4H-pyrazol-3-yl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Dimethyl 5-[[1-(2-chloropyridin-3-yl)-5-oxo-4H-pyrazol-3-yl]amino]benzene-1,3-dicarboxylate Dimethyl 5-[[1-(2-chloro-3-pyridyl)-5-oxo-4H-pyrazol-3-yl]amino]benzene-1,3-dicarboxylate Dimethyl 5-[[1-(2-chloranylpyridin-3-yl)-5-oxidanylidene-4H-pyrazol-3-yl]amino]benzene-1,3-dicarboxylate
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Formula C18H15ClN4O5
InChI InChI=1S/C18H15ClN4O5/c1-27-17(25)10-6-11(18(26)28-2)8-12(7-10)21-14-9-15(24)23(22-14)13-4-3-5-20-16(13)19/h3-8H,9H2,1-2H3,(H,21,22)
InChIKey UKLTUWPFAHILHL-UHFFFAOYSA-N
Molecular Weight 402.794 g/mol
SMILES N(c1cc(C(OC)=O)cc(c1)C(=O)OC)C1=NN(C(=O)C1)c1cccnc1Cl
SPLASH splash10-0udi-6750900000-4b86eb13aaccce5dd221
Source of Spectrum JX-2015-4-33
Wiley ID 1725490