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3-{[(E)-(1-benzyl-1H-indol-3-yl)methylidene]amino}-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
SpectraBase Compound ID GAsajVgdCJJ
InChI InChI=1S/C27H21N5O2/c1-34-20-11-12-23-22(13-20)25-26(30-23)27(33)32(17-28-25)29-14-19-16-31(15-18-7-3-2-4-8-18)24-10-6-5-9-21(19)24/h2-14,16-17,30H,15H2,1H3/b29-14+
InChIKey GEQXUGHAQZELPP-IPPBACCNSA-N
Mol Weight 447.5 g/mol
Molecular Formula C27H21N5O2
Exact Mass 447.169525 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID FJQwtSrDFH4
Name 3-{[(E)-(1-benzyl-1H-indol-3-yl)methylidene]amino}-8-methoxy-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/C27H21N5O2/c1-34-20-11-12-23-22(13-20)25-26(30-23)27(33)32(17-28-25)29-14-19-16-31(15-18-7-3-2-4-8-18)24-10-6-5-9-21(19)24/h2-14,16-17,30H,15H2,1H3/b29-14+
InChIKey GEQXUGHAQZELPP-IPPBACCNSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_13436
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: 102030; Labnumber: PRBS13-43960; VK_ID: VK-013441
Synonyms 3-{[(1-benzyl-1H-indol-3-yl)methylidene]amino}-8-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Temperature 308 °C