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3-{[(E)-(3-allyl-2-hydroxyphenyl)methylidene]amino}-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
SpectraBase Compound ID AKxXxDJlyIc
InChI InChI=1S/C21H18N4O4/c1-3-5-12-6-4-7-13(19(12)26)11-22-25-20(27)18-17(24-21(25)28)15-9-8-14(29-2)10-16(15)23-18/h3-4,6-11,23,26H,1,5H2,2H3,(H,24,28)/b22-11+
InChIKey DUPPNKKCHNIWCS-SSDVNMTOSA-N
Mol Weight 390.4 g/mol
Molecular Formula C21H18N4O4
Exact Mass 390.132805 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1yAaQa5mPqN
Name 3-{[(E)-(3-allyl-2-hydroxyphenyl)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/C21H18N4O4/c1-3-5-12-6-4-7-13(19(12)26)11-22-25-20(27)18-17(24-21(25)28)15-9-8-14(29-2)10-16(15)23-18/h3-4,6-11,23,26H,1,5H2,2H3,(H,24,28)/b22-11+
InChIKey DUPPNKKCHNIWCS-SSDVNMTOSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18196
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: D32018; Labnumber: SIMAK-01485; SBI_ID: SBI-018199
Synonyms 3-{[(3-allyl-2-hydroxyphenyl)methylidene]amino}-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Temperature 315 °C