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9-chloro-3-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
SpectraBase Compound ID ABxT3u19R7r
InChI InChI=1S/C22H21ClN4O2/c1-2-3-4-12-29-16-10-8-15(9-11-16)13-25-27-14-24-20-19-17(23)6-5-7-18(19)26-21(20)22(27)28/h5-11,13-14,26H,2-4,12H2,1H3/b25-13+
InChIKey WTBRTPDTSROLPZ-DHRITJCHSA-N
Mol Weight 408.89 g/mol
Molecular Formula C22H21ClN4O2
Exact Mass 408.135304 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HwioxMO53oU
Name 9-chloro-3-({(E)-[4-(pentyloxy)phenyl]methylidene}amino)-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/C22H21ClN4O2/c1-2-3-4-12-29-16-10-8-15(9-11-16)13-25-27-14-24-20-19-17(23)6-5-7-18(19)26-21(20)22(27)28/h5-11,13-14,26H,2-4,12H2,1H3/b25-13+
InChIKey WTBRTPDTSROLPZ-DHRITJCHSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13724
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: D88811; Labnumber: SIMAK-01962; SBI_ID: SBI-013727
Synonyms 9-chloro-3-({[4-(pentyloxy)phenyl]methylidene}amino)-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
Temperature 306 °C