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3-{[(E)-(2-chlorophenyl)methylidene]amino}-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
SpectraBase Compound ID J3gdXNv0eB8
InChI InChI=1S/C18H13ClN4O3/c1-26-11-6-7-12-14(8-11)21-16-15(12)22-18(25)23(17(16)24)20-9-10-4-2-3-5-13(10)19/h2-9,21H,1H3,(H,22,25)/b20-9+
InChIKey GDUFTVGNUVIMST-AWQFTUOYSA-N
Mol Weight 368.78 g/mol
Molecular Formula C18H13ClN4O3
Exact Mass 368.067618 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IkiL2hy2XlO
Name 3-{[(E)-(2-chlorophenyl)methylidene]amino}-7-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/C18H13ClN4O3/c1-26-11-6-7-12-14(8-11)21-16-15(12)22-18(25)23(17(16)24)20-9-10-4-2-3-5-13(10)19/h2-9,21H,1H3,(H,22,25)/b20-9+
InChIKey GDUFTVGNUVIMST-AWQFTUOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18242
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: D32108; Labnumber: SIMAK02-00201; SBI_ID: SBI-018245
Synonyms 3-{[(2-chlorophenyl)methylidene]amino}-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Temperature 308 °C