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Cyclohexyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

View entire compound with spectra: 2 NMR

Cyclohexyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 24d1KVlvRan
InChI InChI=1S/C25H31NO4/c1-15-21(24(29)30-18-7-5-4-6-8-18)22(16-9-11-17(27)12-10-16)23-19(26-15)13-25(2,3)14-20(23)28/h9-12,18,22,26-27H,4-8,13-14H2,1-3H3
InChIKey RLXAZLDAPSODOC-UHFFFAOYSA-N
Mol Weight 409.53 g/mol
Molecular Formula C25H31NO4
Exact Mass 409.225308 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Db63oIe9S32
Name Cyclohexyl 4-(4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 409.225308478 u
Formula C25H31NO4
InChI InChI=1S/C25H31NO4/c1-15-21(24(29)30-18-7-5-4-6-8-18)22(16-9-11-17(27)12-10-16)23-19(26-15)13-25(2,3)14-20(23)28/h9-12,18,22,26-27H,4-8,13-14H2,1-3H3
InChIKey RLXAZLDAPSODOC-UHFFFAOYSA-N
Molecular Weight 409.526 g/mol
SMILES N1C2=C(C(C3=CC=C(C=C3)O)C(=C1C)C(OC1CCCCC1)=O)C(CC(C2)(C)C)=O