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

View entire compound with spectra: 2 NMR

Propyl 4-(3-bromophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarboxylate
SpectraBase Compound ID HzGxRkPB32p
InChI InChI=1S/C22H26BrNO3/c1-5-9-27-21(26)18-13(2)24-16-11-22(3,4)12-17(25)20(16)19(18)14-7-6-8-15(23)10-14/h6-8,10,19,24H,5,9,11-12H2,1-4H3
InChIKey OJJOXPNKKIAKSJ-UHFFFAOYSA-N
Mol Weight 432.36 g/mol
Molecular Formula C22H26BrNO3
Exact Mass 431.109607 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 29baR0fBiza
Name Propyl 4-(3-bromophenyl)-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 431.109606698 u
Formula C22H26BrNO3
InChI InChI=1S/C22H26BrNO3/c1-5-9-27-21(26)18-13(2)24-16-11-22(3,4)12-17(25)20(16)19(18)14-7-6-8-15(23)10-14/h6-8,10,19,24H,5,9,11-12H2,1-4H3
InChIKey OJJOXPNKKIAKSJ-UHFFFAOYSA-N
Molecular Weight 432.358 g/mol
SMILES N1C(=C(C(C=2C(CC(CC12)(C)C)=O)C1=CC(Br)=CC=C1)C(=O)OCCC)C