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3-{[(E)-(4-isopropylphenyl)methylidene]amino}-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
SpectraBase Compound ID J2WFnGzr1mJ
InChI InChI=1S/C21H20N4O3/c1-12(2)14-6-4-13(5-7-14)11-22-25-20(26)19-18(24-21(25)27)16-9-8-15(28-3)10-17(16)23-19/h4-12,23H,1-3H3,(H,24,27)/b22-11+
InChIKey IUTAUHIKMQVVMT-SSDVNMTOSA-N
Mol Weight 376.42 g/mol
Molecular Formula C21H20N4O3
Exact Mass 376.153541 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IRruQxhzWA0
Name 3-{[(E)-(4-isopropylphenyl)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/C21H20N4O3/c1-12(2)14-6-4-13(5-7-14)11-22-25-20(26)19-18(24-21(25)27)16-9-8-15(28-3)10-17(16)23-19/h4-12,23H,1-3H3,(H,24,27)/b22-11+
InChIKey IUTAUHIKMQVVMT-SSDVNMTOSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18197
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: D32021; Labnumber: SIMAK-01488; SBI_ID: SBI-018200
Synonyms 3-{[(4-isopropylphenyl)methylidene]amino}-7-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Temperature 308 °C