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3-{[(E)-(4-isopropylphenyl)methylidene]amino}-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
SpectraBase Compound ID f8CHqxqXIN
InChI InChI=1S/C21H20N4O3/c1-12(2)14-9-7-13(8-10-14)11-22-25-20(26)19-18(24-21(25)27)17-15(23-19)5-4-6-16(17)28-3/h4-12,23H,1-3H3,(H,24,27)/b22-11+
InChIKey KNTUAASPTGNUBF-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 3gpfCldnBtH
Name 3-{[(E)-(4-isopropylphenyl)methylidene]amino}-9-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)14-9-7-13(8-10-14)11-22-25-20(26)19-18(24-21(25)27)17-15(23-19)5-4-6-16(17)28-3/h4-12,23H,1-3H3,(H,24,27)/b22-11+
InChIKey KNTUAASPTGNUBF-SSDVNMTOSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_18221
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: D32075; Labnumber: SIMAK-01542; SBI_ID: SBI-018224
Synonyms 3-{[(4-isopropylphenyl)methylidene]amino}-9-methoxy-1H-pyrimido[5,4-b]indole-2,4(3H,5H)-dione
Temperature 308 °C