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9-methoxy-3-{[(E)-3-pyridinylmethylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
SpectraBase Compound ID 68f9kKC4HJC
InChI InChI=1S/C17H13N5O3/c1-25-12-6-2-5-11-13(12)14-15(20-11)16(23)22(17(24)21-14)19-9-10-4-3-7-18-8-10/h2-9,20H,1H3,(H,21,24)/b19-9+
InChIKey WJLYCFJOARAWLQ-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 7F7gEQ3W8QZ
Name 9-methoxy-3-{[(E)-3-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/c1-25-12-6-2-5-11-13(12)14-15(20-11)16(23)22(17(24)21-14)19-9-10-4-3-7-18-8-10/h2-9,20H,1H3,(H,21,24)/b19-9+
InChIKey WJLYCFJOARAWLQ-DJKKODMXSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18222
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: D32076; Labnumber: SIMAK-01543; SBI_ID: SBI-018225
Synonyms 9-methoxy-3-{[3-pyridinylmethylidene]amino}-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Temperature 308 °C