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3-(10-chloro-9-anthracenyl)isoxazole-4,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID HuosmZKeH9O
InChI InChI=1S/C21H14ClNO5/c1-26-20(24)16-18(23-28-19(16)21(25)27-2)15-11-7-3-5-9-13(11)17(22)14-10-6-4-8-12(14)15/h3-10H,1-2H3
InChIKey XNPXYLDQCHLPMN-UHFFFAOYSA-N
Mol Weight 395.8 g/mol
Molecular Formula C21H14ClNO5
Exact Mass 395.05605 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B4CIitp4uM
Name 3-(10-chloro-9-anthracenyl)isoxazole-4,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 3-(10-chloro-9-anthryl)isoxazole-4,5-dicarboxylic acid dimethyl ester Dimethyl 3-(10-chloranylanthracen-9-yl)-1,2-oxazole-4,5-dicarboxylate Dimethyl 3-(10-chloro-9-anthryl)isoxazole-4,5-dicarboxylate Dimethyl 3-(10-chloroanthracen-9-yl)-1,2-oxazole-4,5-dicarboxylate
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Formula C21H14ClNO5
InChI InChI=1S/C21H14ClNO5/c1-26-20(24)16-18(23-28-19(16)21(25)27-2)15-11-7-3-5-9-13(11)17(22)14-10-6-4-8-12(14)15/h3-10H,1-2H3
InChIKey XNPXYLDQCHLPMN-UHFFFAOYSA-N
Molecular Weight 395.798 g/mol
SMILES c1(c(-c2c3c(cccc3)c(c3c2cccc3)Cl)noc1C(=O)OC)C(=O)OC
SPLASH splash10-0002-0029000000-0626074be734852fb1f2
Source of Spectrum Y-40-543-6
Wiley ID 1528951