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3-{[(E)-(4-butoxyphenyl)methylidene]amino}-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
SpectraBase Compound ID xXSpD7jds8
InChI InChI=1S/C22H22N4O4/c1-3-4-12-30-15-10-8-14(9-11-15)13-23-26-21(27)20-19(25-22(26)28)18-16(24-20)6-5-7-17(18)29-2/h5-11,13,24H,3-4,12H2,1-2H3,(H,25,28)/b23-13+
InChIKey ZEUJGMAYWIRRGG-YDZHTSKRSA-N
Mol Weight 406.44 g/mol
Molecular Formula C22H22N4O4
Exact Mass 406.164105 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID AC0TQF0BBoT
Name 3-{[(E)-(4-butoxyphenyl)methylidene]amino}-9-methoxy-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/C22H22N4O4/c1-3-4-12-30-15-10-8-14(9-11-15)13-23-26-21(27)20-19(25-22(26)28)18-16(24-20)6-5-7-17(18)29-2/h5-11,13,24H,3-4,12H2,1-2H3,(H,25,28)/b23-13+
InChIKey ZEUJGMAYWIRRGG-YDZHTSKRSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18227
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: D32082; Labnumber: SIMAK-01549; SBI_ID: SBI-018230
Synonyms 3-{[(4-butoxyphenyl)methylidene]amino}-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Temperature 308 °C