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3-{[(E)-(4-isopropylphenyl)methylidene]amino}-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
SpectraBase Compound ID FOhyTTh1aur
InChI InChI=1S/C21H20N4O2/c1-13(2)15-6-4-14(5-7-15)11-23-25-12-22-19-17-9-8-16(27-3)10-18(17)24-20(19)21(25)26/h4-13,24H,1-3H3/b23-11+
InChIKey FBUAFWPDNMRIJS-FOKLQQMPSA-N
Mol Weight 360.42 g/mol
Molecular Formula C21H20N4O2
Exact Mass 360.158626 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 232e806rjjh
Name 3-{[(E)-(4-isopropylphenyl)methylidene]amino}-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
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/C21H20N4O2/c1-13(2)15-6-4-14(5-7-15)11-23-25-12-22-19-17-9-8-16(27-3)10-18(17)24-20(19)21(25)26/h4-13,24H,1-3H3/b23-11+
InChIKey FBUAFWPDNMRIJS-FOKLQQMPSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_16310
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: D22793; Labnumber: SIMAK-01356; SBI_ID: SBI-016313
Synonyms 3-{[(4-isopropylphenyl)methylidene]amino}-7-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Temperature 308 °C