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3-({(E)-[4-(decyloxy)phenyl]methylidene}amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
SpectraBase Compound ID 5ceP1uyQJ3X
InChI InChI=1S/C29H36N4O5/c1-4-5-6-7-8-9-10-11-16-38-21-14-12-20(13-15-21)19-30-33-28(34)27-26(32-29(33)35)22-17-24(36-2)25(37-3)18-23(22)31-27/h12-15,17-19,31H,4-11,16H2,1-3H3,(H,32,35)/b30-19+
InChIKey DTMZRNNKUYBDSQ-NDZAJKAJSA-N
Mol Weight 520.6 g/mol
Molecular Formula C29H36N4O5
Exact Mass 520.26857 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID NChbm4NjcY
Name 3-({(E)-[4-(decyloxy)phenyl]methylidene}amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
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/C29H36N4O5/c1-4-5-6-7-8-9-10-11-16-38-21-14-12-20(13-15-21)19-30-33-28(34)27-26(32-29(33)35)22-17-24(36-2)25(37-3)18-23(22)31-27/h12-15,17-19,31H,4-11,16H2,1-3H3,(H,32,35)/b30-19+
InChIKey DTMZRNNKUYBDSQ-NDZAJKAJSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_8436
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: 127960; Labnumber: SIMAK-00029; VK_ID: VK-008440
Synonyms 3-({[4-(decyloxy)phenyl]methylidene}amino)-7,8-dimethoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Temperature 315 °C