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1-(1-adamantylmethyl)-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID J6FVKnYoNpV
InChI InChI=1S/C27H32ClNO6/c1-33-22-8-18(7-21(28)24(22)30)23-19(25(31)34-2)12-29(13-20(23)26(32)35-3)14-27-9-15-4-16(10-27)6-17(5-15)11-27/h7-8,12-13,15-17,23,30H,4-6,9-11,14H2,1-3H3
InChIKey URSNOWPIGDBTHB-UHFFFAOYSA-N
Mol Weight 502.0 g/mol
Molecular Formula C27H32ClNO6
Exact Mass 501.191815 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HgIQxvx7t4B
Name 1-(1-adamantylmethyl)-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
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Formula C27H32ClNO6
InChI InChI=1S/C27H32ClNO6/c1-33-22-8-18(7-21(28)24(22)30)23-19(25(31)34-2)12-29(13-20(23)26(32)35-3)14-27-9-15-4-16(10-27)6-17(5-15)11-27/h7-8,12-13,15-17,23,30H,4-6,9-11,14H2,1-3H3
InChIKey URSNOWPIGDBTHB-UHFFFAOYSA-N
Molecular Weight 502.007 g/mol
SMILES Oc1c(cc(C2C(C(=O)OC)=CN(C=C2C(=O)OC)CC23CC4CC(C3)CC(C2)C4)cc1Cl)OC
SPLASH splash10-0006-9415000000-031302e8f603c385ca2c
Synonyms Dimethyl 1-(1-adamantylmethyl)-4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-4H-pyridine-3,5-dicarboxylate Dimethyl 1-(1-adamantylmethyl)-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-4H-pyridine-3,5-dicarboxylate 1-(1-adamantylmethyl)-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Wiley ID 1444729