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2-Amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro-3-quinolinecarbonitrile

View entire compound with spectra: 2 NMR

2-Amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 7k6aNxKYSAb
InChI InChI=1S/C24H22ClN3O2/c1-29-22-12-16(8-11-21(22)30-14-15-6-9-17(25)10-7-15)23-18-4-2-3-5-20(18)28-24(27)19(23)13-26/h6-12H,2-5,14H2,1H3,(H2,27,28)
InChIKey CDDSUDUCNKZBAB-UHFFFAOYSA-N
Mol Weight 419.91 g/mol
Molecular Formula C24H22ClN3O2
Exact Mass 419.140055 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2TsANvaTulN
Name 2-Amino-4-{4-[(4-chlorobenzyl)oxy]-3-methoxyphenyl}-5,6,7,8-tetrahydro-3-quinolinecarbonitrile
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 419.140054658 u
Formula C24H22ClN3O2
InChI InChI=1S/C24H22ClN3O2/c1-29-22-12-16(8-11-21(22)30-14-15-6-9-17(25)10-7-15)23-18-4-2-3-5-20(18)28-24(27)19(23)13-26/h6-12H,2-5,14H2,1H3,(H2,27,28)
InChIKey CDDSUDUCNKZBAB-UHFFFAOYSA-N
Molecular Weight 419.912 g/mol
SMILES NC=1C(=C(C=2C=C(OC)C(=CC2)OCC=2C=CC(=CC2)Cl)C=2CCCCC2N1)C#N