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8-methoxy-3-{[(E)-(4-methoxy-3-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}phenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
SpectraBase Compound ID GjLtaEhG3tP
InChI InChI=1S/C31H32N6O4/c1-39-23-9-10-25-24(17-23)29-30(34-25)31(38)37(20-32-29)33-18-21-8-11-27(40-2)22(16-21)19-35-12-14-36(15-13-35)26-6-4-5-7-28(26)41-3/h4-11,16-18,20,34H,12-15,19H2,1-3H3/b33-18+
InChIKey ZYRHNTUGEYKXTB-DPNNOFEESA-N
Mol Weight 552.6 g/mol
Molecular Formula C31H32N6O4
Exact Mass 552.248504 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H76j559gBa4
Name 8-methoxy-3-{[(E)-(4-methoxy-3-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}phenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
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/C31H32N6O4/c1-39-23-9-10-25-24(17-23)29-30(34-25)31(38)37(20-32-29)33-18-21-8-11-27(40-2)22(16-21)19-35-12-14-36(15-13-35)26-6-4-5-7-28(26)41-3/h4-11,16-18,20,34H,12-15,19H2,1-3H3/b33-18+
InChIKey ZYRHNTUGEYKXTB-DPNNOFEESA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13421
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: 102038; Labnumber: PRBS13-45329; VK_ID: VK-013426
Synonyms 8-methoxy-3-{[(4-methoxy-3-{[4-(2-methoxyphenyl)-1-piperazinyl]methyl}phenyl)methylidene]amino}-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Temperature 308 °C