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7-methoxy-3-{[(E)-4-pyridinylmethylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
SpectraBase Compound ID EK6IVOqVEdk
InChI InChI=1S/C17H13N5O3/c1-25-11-2-3-12-13(8-11)20-15-14(12)21-17(24)22(16(15)23)19-9-10-4-6-18-7-5-10/h2-9,20H,1H3,(H,21,24)/b19-9+
InChIKey IWTONNVAMBLDNK-DJKKODMXSA-N
Mol Weight 335.32 g/mol
Molecular Formula C17H13N5O3
Exact Mass 335.101839 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BtTrvA9emNv
Name 7-methoxy-3-{[(E)-4-pyridinylmethylidene]amino}-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/C17H13N5O3/c1-25-11-2-3-12-13(8-11)20-15-14(12)21-17(24)22(16(15)23)19-9-10-4-6-18-7-5-10/h2-9,20H,1H3,(H,21,24)/b19-9+
InChIKey IWTONNVAMBLDNK-DJKKODMXSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18198
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: D32022; Labnumber: SIMAK-01489; SBI_ID: SBI-018201
Synonyms 7-methoxy-3-{[4-pyridinylmethylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Temperature 308 °C