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3-(3-butoxypropyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
SpectraBase Compound ID 1Hej8dpWmZ2
InChI InChI=1S/C17H20ClN3O2/c1-2-3-9-23-10-5-8-21-11-19-15-14-12(18)6-4-7-13(14)20-16(15)17(21)22/h4,6-7,11,20H,2-3,5,8-10H2,1H3
InChIKey AGPXZJUBIDUAJR-UHFFFAOYSA-N
Mol Weight 333.82 g/mol
Molecular Formula C17H20ClN3O2
Exact Mass 333.124405 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EZpm1x843Pe
Name 3-(3-butoxypropyl)-9-chloro-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/C17H20ClN3O2/c1-2-3-9-23-10-5-8-21-11-19-15-14-12(18)6-4-7-13(14)20-16(15)17(21)22/h4,6-7,11,20H,2-3,5,8-10H2,1H3
InChIKey AGPXZJUBIDUAJR-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3916
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: D99966; Labnumber: SIMAK-02005; SBI_ID: SBI-003918
Temperature 315 °C