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

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Pentyl 4-(3-ethoxy-4-hydroxyphenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID FnCPQBF7ofo
InChI InChI=1S/C26H35NO5/c1-6-8-9-12-32-25(30)22-16(3)27-18-14-26(4,5)15-20(29)24(18)23(22)17-10-11-19(28)21(13-17)31-7-2/h10-11,13,23,27-28H,6-9,12,14-15H2,1-5H3
InChIKey DJCKEZFRDIUEGL-UHFFFAOYSA-N
Mol Weight 441.6 g/mol
Molecular Formula C26H35NO5
Exact Mass 441.251523 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 65O3IMx0Inn
Name Pentyl 4-(3-ethoxy-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 441.251523226 u
Formula C26H35NO5
InChI InChI=1S/C26H35NO5/c1-6-8-9-12-32-25(30)22-16(3)27-18-14-26(4,5)15-20(29)24(18)23(22)17-10-11-19(28)21(13-17)31-7-2/h10-11,13,23,27-28H,6-9,12,14-15H2,1-5H3
InChIKey DJCKEZFRDIUEGL-UHFFFAOYSA-N
Molecular Weight 441.568 g/mol
SMILES N1C(=C(C(C2=CC=C(C(=C2)OCC)O)C=2C(CC(CC12)(C)C)=O)C(=O)OCCCCC)C