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1-(1-adamantylmethyl)-4-(2-isopropoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID Gbi2pVIe70y
InChI InChI=1S/C29H37NO5/c1-18(2)35-25-8-6-5-7-22(25)26-23(27(31)33-3)15-30(16-24(26)28(32)34-4)17-29-12-19-9-20(13-29)11-21(10-19)14-29/h5-8,15-16,18-21,26H,9-14,17H2,1-4H3
InChIKey IVOJTVKSWUEIMZ-UHFFFAOYSA-N
Mol Weight 479.6 g/mol
Molecular Formula C29H37NO5
Exact Mass 479.267173 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4RDo4orqgC
Name 1-(1-adamantylmethyl)-4-(2-isopropoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Alternate Name(s) 1-(1-adamantylmethyl)-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester Dimethyl 1-(1-adamantylmethyl)-4-(2-isopropoxyphenyl)-4H-pyridine-3,5-dicarboxylate Dimethyl 1-(1-adamantylmethyl)-4-(2-propan-2-yloxyphenyl)-4H-pyridine-3,5-dicarboxylate
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Formula C29H37NO5
InChI InChI=1S/C29H37NO5/c1-18(2)35-25-8-6-5-7-22(25)26-23(27(31)33-3)15-30(16-24(26)28(32)34-4)17-29-12-19-9-20(13-29)11-21(10-19)14-29/h5-8,15-16,18-21,26H,9-14,17H2,1-4H3
InChIKey IVOJTVKSWUEIMZ-UHFFFAOYSA-N
Molecular Weight 479.617 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CC12CC3CC(C2)CC(C1)C3)c1c(OC(C)C)cccc1)C(=O)OC
SPLASH splash10-0006-9300200000-8b67a70ea77f74aa26f4
Wiley ID 1463970