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2-Phenylethyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate

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2-Phenylethyl 4-(5-bromo-2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID 3hvdL9fvOXy
InChI InChI=1S/C26H26BrNO4/c1-16-23(26(30)32-14-13-17-7-4-3-5-8-17)24(19-15-18(27)11-12-22(19)31-2)25-20(28-16)9-6-10-21(25)29/h3-5,7-8,11-12,15,24,28H,6,9-10,13-14H2,1-2H3
InChIKey ZINKTPLZHCGHAU-UHFFFAOYSA-N
Mol Weight 496.4 g/mol
Molecular Formula C26H26BrNO4
Exact Mass 495.104521 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID GlNkbziL5hR
Name 2-Phenylethyl 4-(5-bromo-2-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 495.104521317 u
Formula C26H26BrNO4
InChI InChI=1S/C26H26BrNO4/c1-16-23(26(30)32-14-13-17-7-4-3-5-8-17)24(19-15-18(27)11-12-22(19)31-2)25-20(28-16)9-6-10-21(25)29/h3-5,7-8,11-12,15,24,28H,6,9-10,13-14H2,1-2H3
InChIKey ZINKTPLZHCGHAU-UHFFFAOYSA-N
Molecular Weight 496.401 g/mol
SMILES N1C(=C(C(C=2C(CCCC12)=O)C1=C(C=CC(=C1)Br)OC)C(=O)OCCC=1C=CC=CC1)C