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1-(1-adamantylmethyl)-4-[4-(trifluoromethoxy)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester

View entire compound with spectra: 1 MS (GC)

1-(1-adamantylmethyl)-4-[4-(trifluoromethoxy)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 94OkFyYKQBH
InChI InChI=1S/C27H30F3NO5/c1-34-24(32)21-13-31(15-26-10-16-7-17(11-26)9-18(8-16)12-26)14-22(25(33)35-2)23(21)19-3-5-20(6-4-19)36-27(28,29)30/h3-6,13-14,16-18,23H,7-12,15H2,1-2H3
InChIKey KBAUQLHVYXHVDW-UHFFFAOYSA-N
Mol Weight 505.53 g/mol
Molecular Formula C27H30F3NO5
Exact Mass 505.207608 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JlmepkdPrFZ
Name 1-(1-adamantylmethyl)-4-[4-(trifluoromethoxy)phenyl]-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Alternate Name(s) Dimethyl 1-(1-adamantylmethyl)-4-[4-(trifluoromethoxy)phenyl]-4H-pyridine-3,5-dicarboxylate Dimethyl 1-(1-adamantylmethyl)-4-[4-(trifluoromethyloxy)phenyl]-4H-pyridine-3,5-dicarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H30F3NO5
InChI InChI=1S/C27H30F3NO5/c1-34-24(32)21-13-31(15-26-10-16-7-17(11-26)9-18(8-16)12-26)14-22(25(33)35-2)23(21)19-3-5-20(6-4-19)36-27(28,29)30/h3-6,13-14,16-18,23H,7-12,15H2,1-2H3
InChIKey KBAUQLHVYXHVDW-UHFFFAOYSA-N
Molecular Weight 505.534 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CC12CC3CC(C2)CC(C1)C3)c1ccc(OC(F)(F)F)cc1)C(=O)OC
SPLASH splash10-0006-8419110000-9af5e33e74fe4ee5067a
Wiley ID 1444727