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2-amino-1-(4-bromophenyl)-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

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2-amino-1-(4-bromophenyl)-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
SpectraBase Compound ID 6IPttSouRZ5
InChI InChI=1S/C30H25BrN4O5/c1-39-26-14-9-18(15-19(26)17-40-27-8-3-2-5-23(27)35(37)38)28-22(16-32)30(33)34(21-12-10-20(31)11-13-21)24-6-4-7-25(36)29(24)28/h2-3,5,8-15,28H,4,6-7,17,33H2,1H3
InChIKey KTEMHVPBUSQYRV-UHFFFAOYSA-N
Mol Weight 601.46 g/mol
Molecular Formula C30H25BrN4O5
Exact Mass 600.100833 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9xAjtmxu3lG
Name 2-amino-1-(4-bromophenyl)-4-{4-methoxy-3-[(2-nitrophenoxy)methyl]phenyl}-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C30H25BrN4O5/c1-39-26-14-9-18(15-19(26)17-40-27-8-3-2-5-23(27)35(37)38)28-22(16-32)30(33)34(21-12-10-20(31)11-13-21)24-6-4-7-25(36)29(24)28/h2-3,5,8-15,28H,4,6-7,17,33H2,1H3
InChIKey KTEMHVPBUSQYRV-UHFFFAOYSA-N
NMR Offset 14.9921
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI_21270_18620
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: UZI/9125811; UBI_ID: UBI-018623
Temperature 313 °C