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3-(1,3-benzodioxol-5-ylmethyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one

View entire compound with spectra: 1 NMR

3-(1,3-benzodioxol-5-ylmethyl)-9-chloro-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one
SpectraBase Compound ID JAKAXFVBEDh
InChI InChI=1S/C18H12ClN3O3/c19-11-2-1-3-12-15(11)16-17(21-12)18(23)22(8-20-16)7-10-4-5-13-14(6-10)25-9-24-13/h1-6,8,21H,7,9H2
InChIKey MZGCRNVFGHAHQV-UHFFFAOYSA-N
Mol Weight 353.77 g/mol
Molecular Formula C18H12ClN3O3
Exact Mass 353.056719 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID B1nDzabgSiA
Name 3-(1,3-benzodioxol-5-ylmethyl)-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/C18H12ClN3O3/c19-11-2-1-3-12-15(11)16-17(21-12)18(23)22(8-20-16)7-10-4-5-13-14(6-10)25-9-24-13/h1-6,8,21H,7,9H2
InChIKey MZGCRNVFGHAHQV-UHFFFAOYSA-N
NMR Offset 15.5012
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_3904
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: D99953; Labnumber: SIMAK-01992; SBI_ID: SBI-003906
Temperature 315 °C