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1-[2-(1-adamantyloxy)ethyl]-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID Ehu7kE1ji7
InChI InChI=1S/C27H32FNO5/c1-32-25(30)22-15-29(6-7-34-27-12-17-8-18(13-27)10-19(9-17)14-27)16-23(26(31)33-2)24(22)20-4-3-5-21(28)11-20/h3-5,11,15-19,24H,6-10,12-14H2,1-2H3
InChIKey BVJJQRNZNVMAHI-UHFFFAOYSA-N
Mol Weight 469.6 g/mol
Molecular Formula C27H32FNO5
Exact Mass 469.226451 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 69DJp7VYKvr
Name 1-[2-(1-adamantyloxy)ethyl]-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H32FNO5
InChI InChI=1S/C27H32FNO5/c1-32-25(30)22-15-29(6-7-34-27-12-17-8-18(13-27)10-19(9-17)14-27)16-23(26(31)33-2)24(22)20-4-3-5-21(28)11-20/h3-5,11,15-19,24H,6-10,12-14H2,1-2H3
InChIKey BVJJQRNZNVMAHI-UHFFFAOYSA-N
Molecular Weight 469.553 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)CCOC12CC3CC(C2)CC(C1)C3)c1cc(F)ccc1)C(=O)OC
SPLASH splash10-00di-9618000000-10a879aafbbcef28eb1b
Synonyms Dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(3-fluorophenyl)-4H-pyridine-3,5-dicarboxylate
Wiley ID 1444739