For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
1-[2-(1-adamantyloxy)ethyl]-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
SpectraBase Compound ID 9wUZaL3JDz5
InChI InChI=1S/C28H34ClNO7/c1-34-23-10-19(9-22(29)25(23)31)24-20(26(32)35-2)14-30(15-21(24)27(33)36-3)4-5-37-28-11-16-6-17(12-28)8-18(7-16)13-28/h9-10,14-18,24,31H,4-8,11-13H2,1-3H3
InChIKey IJNOUPRQNVGBAN-UHFFFAOYSA-N
Mol Weight 532.0 g/mol
Molecular Formula C28H34ClNO7
Exact Mass 531.20238 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID FrhbIJdKLWR
Name 1-[2-(1-adamantyloxy)ethyl]-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H34ClNO7
InChI InChI=1S/C28H34ClNO7/c1-34-23-10-19(9-22(29)25(23)31)24-20(26(32)35-2)14-30(15-21(24)27(33)36-3)4-5-37-28-11-16-6-17(12-28)8-18(7-16)13-28/h9-10,14-18,24,31H,4-8,11-13H2,1-3H3
InChIKey IJNOUPRQNVGBAN-UHFFFAOYSA-N
Molecular Weight 532.033 g/mol
SMILES Oc1c(cc(C2C(C(=O)OC)=CN(C=C2C(=O)OC)CCOC23CC4CC(C3)CC(C2)C4)cc1Cl)OC
SPLASH splash10-00g3-9513000000-7cc9f55c09fbc1f008c5
Synonyms Dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-4H-pyridine-3,5-dicarboxylate Dimethyl 1-[2-(1-adamantyloxy)ethyl]-4-(3-chloro-4-hydroxy-5-methoxy-phenyl)-4H-pyridine-3,5-dicarboxylate 1-[2-(1-adamantyloxy)ethyl]-4-(3-chloro-4-hydroxy-5-methoxyphenyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester
Wiley ID 1444730