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1-(1-adamantyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID H1WpsoKnYXJ
InChI InChI=1S/C25H28N2O6/c1-32-23(28)20-13-26(25-10-15-6-16(11-25)8-17(7-15)12-25)14-21(24(29)33-2)22(20)18-4-3-5-19(9-18)27(30)31/h3-5,9,13-17,22H,6-8,10-12H2,1-2H3/t15-,16+,17-,25-
InChIKey FBDSVFHJEUIZES-CIRRPZLZSA-N
Mol Weight 452.51 g/mol
Molecular Formula C25H28N2O6
Exact Mass 452.194737 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HnA4V7TUUDS
Name 1-(1-adamantyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H28N2O6
InChI InChI=1S/C25H28N2O6/c1-32-23(28)20-13-26(25-10-15-6-16(11-25)8-17(7-15)12-25)14-21(24(29)33-2)22(20)18-4-3-5-19(9-18)27(30)31/h3-5,9,13-17,22H,6-8,10-12H2,1-2H3/t15-,16+,17-,25-
InChIKey FBDSVFHJEUIZES-CIRRPZLZSA-N
Molecular Weight 452.507 g/mol
SMILES C=1(C(C(C(=O)OC)=CN(C1)C12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])c1cc(N(=O)=O)ccc1)C(=O)OC
SPLASH splash10-000i-9801000000-8df75a915fd8bca942cc
Synonyms Dimethyl 1-(1-adamantyl)-4-(3-nitrophenyl)-4H-pyridine-3,5-dicarboxylate
Wiley ID 1462874