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7-methoxy-3-{[(E)-(3-nitrophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
SpectraBase Compound ID CKTASO0P67p
InChI InChI=1S/C18H13N5O5/c1-28-12-5-6-13-14(8-12)20-16-15(13)21-18(25)22(17(16)24)19-9-10-3-2-4-11(7-10)23(26)27/h2-9,20H,1H3,(H,21,25)/b19-9+
InChIKey MMKBSYVNTIPKKN-DJKKODMXSA-N
Mol Weight 379.33 g/mol
Molecular Formula C18H13N5O5
Exact Mass 379.091669 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID Bod5vEktG32
Name 7-methoxy-3-{[(E)-(3-nitrophenyl)methylidene]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/C18H13N5O5/c1-28-12-5-6-13-14(8-12)20-16-15(13)21-18(25)22(17(16)24)19-9-10-3-2-4-11(7-10)23(26)27/h2-9,20H,1H3,(H,21,25)/b19-9+
InChIKey MMKBSYVNTIPKKN-DJKKODMXSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18195
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: D32017; Labnumber: SIMAK-01484; SBI_ID: SBI-018198
Synonyms 7-methoxy-3-{[(3-nitrophenyl)methylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Temperature 315 °C