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benzoic acid, 3-[[3-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazinyl]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino]-, ethyl ester

View entire compound with spectra: 1 NMR

benzoic acid, 3-[[3-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazinyl]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino]-, ethyl ester
SpectraBase Compound ID 7S8ifOtthQn
InChI InChI=1S/C35H31ClN4O5/c1-3-44-35(42)21-7-6-8-24(18-21)37-27-19-28(32-31-30(27)33(41)25-9-4-5-10-26(25)34(31)45-38-32)40-15-13-39(14-16-40)20-22-17-23(36)11-12-29(22)43-2/h4-12,17-19,37H,3,13-16,20H2,1-2H3
InChIKey MXDSBSHFXQOYDE-UHFFFAOYSA-N
Mol Weight 623.1 g/mol
Molecular Formula C35H31ClN4O5
Exact Mass 622.198298 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LI199ea8hz1
Name benzoic acid, 3-[[3-[4-[(5-chloro-2-methoxyphenyl)methyl]-1-piperazinyl]-6-oxo-6H-anthra[1,9-cd]isoxazol-5-yl]amino]-, ethyl ester
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/C35H31ClN4O5/c1-3-44-35(42)21-7-6-8-24(18-21)37-27-19-28(32-31-30(27)33(41)25-9-4-5-10-26(25)34(31)45-38-32)40-15-13-39(14-16-40)20-22-17-23(36)11-12-29(22)43-2/h4-12,17-19,37H,3,13-16,20H2,1-2H3
InChIKey MXDSBSHFXQOYDE-UHFFFAOYSA-N
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Origin 1H_CB3_9000_6818
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: NMR/12228091