| SpectraBase Spectrum ID |
B48UU1UzvaC |
| Name |
1-(1-adamantylmethyl)-4-(2-chlorophenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C26H30ClNO4 |
| InChI |
InChI=1S/C26H30ClNO4/c1-31-24(29)20-13-28(15-26-10-16-7-17(11-26)9-18(8-16)12-26)14-21(25(30)32-2)23(20)19-5-3-4-6-22(19)27/h3-6,13-14,16-18,23H,7-12,15H2,1-2H3/t16-,17+,18-,26- |
| InChIKey |
IXZGRWXANOAOLM-VKWXMXRMSA-N |
| Molecular Weight |
455.982 g/mol |
| SMILES |
C=1(C(C(C(=O)OC)=CN(C1)CC12C[C@]3(C[C@@](C2)(C[C@@](C1)(C3)[H])[H])[H])c1c(Cl)cccc1)C(=O)OC |
| SPLASH |
splash10-0007-8819100000-db5773632666eacc91ae |
| Synonyms |
Dimethyl 1-(1-adamantylmethyl)-4-(2-chlorophenyl)-4H-pyridine-3,5-dicarboxylate |
| Wiley ID |
1443575 |
