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1-[2-(1-adamantyloxy)ethyl]-4-(2,3-dichlorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID CvE3uM9bYPQ
InChI InChI=1S/C27H31Cl2NO5/c1-33-25(31)20-14-30(6-7-35-27-11-16-8-17(12-27)10-18(9-16)13-27)15-21(26(32)34-2)23(20)19-4-3-5-22(28)24(19)29/h3-5,14-18,23H,6-13H2,1-2H3
InChIKey JXPWKCVAIZFICG-UHFFFAOYSA-N
Mol Weight 520.45 g/mol
Molecular Formula C27H31Cl2NO5
Exact Mass 519.157928 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9uvbWBZwqQL
Name 1-[2-(1-adamantyloxy)ethyl]-4-(2,3-dichlorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(2,3-dichlorophenyl)-4H-pyridine-3,5-dicarboxylate Dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-[2,3-bis(chloranyl)phenyl]-4H-pyridine-3,5-dicarboxylate
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Formula C27H31Cl2NO5
InChI InChI=1S/C27H31Cl2NO5/c1-33-25(31)20-14-30(6-7-35-27-11-16-8-17(12-27)10-18(9-16)13-27)15-21(26(32)34-2)23(20)19-4-3-5-22(28)24(19)29/h3-5,14-18,23H,6-13H2,1-2H3
InChIKey JXPWKCVAIZFICG-UHFFFAOYSA-N
Molecular Weight 520.453 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CCOC12CC3CC(C2)CC(C1)C3)c1c(c(Cl)ccc1)Cl)C(=O)OC
SPLASH splash10-009l-9714000000-4030b9a9fff2ec0cce97
Wiley ID 1463982