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

*Links on SpectraBase are not permalinks.

Allyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

View entire compound with spectra: 2 NMR

Allyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 9XBlHxKea1y
InChI InChI=1S/C28H29NO5/c1-4-15-33-28(31)25-18(2)29-21-11-8-12-22(30)27(21)26(25)20-13-14-23(24(16-20)32-3)34-17-19-9-6-5-7-10-19/h4-7,9-10,13-14,16,26,29H,1,8,11-12,15,17H2,2-3H3
InChIKey PBTINZYBEMVPGI-UHFFFAOYSA-N
Mol Weight 459.54 g/mol
Molecular Formula C28H29NO5
Exact Mass 459.204573 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

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

SpectraBase Spectrum ID 7dfY3Wtbh2k
Name Allyl 4-[4-(benzyloxy)-3-methoxyphenyl]-2-methyl-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 459.204573033 u
Formula C28H29NO5
InChI InChI=1S/C28H29NO5/c1-4-15-33-28(31)25-18(2)29-21-11-8-12-22(30)27(21)26(25)20-13-14-23(24(16-20)32-3)34-17-19-9-6-5-7-10-19/h4-7,9-10,13-14,16,26,29H,1,8,11-12,15,17H2,2-3H3
InChIKey PBTINZYBEMVPGI-UHFFFAOYSA-N
Molecular Weight 459.542 g/mol
SMILES N1C(=C(C(C=2C(CCCC12)=O)C1=CC(OC)=C(C=C1)OCC1=CC=CC=C1)C(=O)OCC=C)C