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1-(1-adamantylmethyl)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID EhdgcCugGmU
InChI InChI=1S/C28H35NO7/c1-33-22-8-19(9-23(34-2)25(22)30)24-20(26(31)35-3)13-29(14-21(24)27(32)36-4)15-28-10-16-5-17(11-28)7-18(6-16)12-28/h8-9,13-14,16-18,24,30H,5-7,10-12,15H2,1-4H3
InChIKey DGJYHELAHILWKD-UHFFFAOYSA-N
Mol Weight 497.6 g/mol
Molecular Formula C28H35NO7
Exact Mass 497.241352 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D37LPc30C2j
Name 1-(1-adamantylmethyl)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 1-(1-adamantylmethyl)-4-(3,5-dimethoxy-4-oxidanyl-phenyl)-4H-pyridine-3,5-dicarboxylate Dimethyl 1-(1-adamantylmethyl)-4-(4-hydroxy-3,5-dimethoxy-phenyl)-4H-pyridine-3,5-dicarboxylate 1-(1-adamantylmethyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
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Formula C28H35NO7
InChI InChI=1S/C28H35NO7/c1-33-22-8-19(9-23(34-2)25(22)30)24-20(26(31)35-3)13-29(14-21(24)27(32)36-4)15-28-10-16-5-17(11-28)7-18(6-16)12-28/h8-9,13-14,16-18,24,30H,5-7,10-12,15H2,1-4H3
InChIKey DGJYHELAHILWKD-UHFFFAOYSA-N
Molecular Weight 497.588 g/mol
SMILES Oc1c(cc(C2C(C(=O)OC)=CN(C=C2C(=O)OC)CC23CC4CC(C3)CC(C2)C4)cc1OC)OC
SPLASH splash10-0006-9516100000-c68af4d2a10bb4feee55
Wiley ID 1444732