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7-chloro-3-{4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}-2,4(1H,3H)-quinazolinedione
SpectraBase Compound ID HTB1RtnNxOl
InChI InChI=1S/C20H21ClN6O3/c21-14-4-5-15-16(13-14)24-20(30)27(18(15)29)8-1-3-17(28)25-9-11-26(12-10-25)19-22-6-2-7-23-19/h2,4-7,13H,1,3,8-12H2,(H,24,30)
InChIKey JPCABEFLHFZEIB-UHFFFAOYSA-N
Mol Weight 428.88 g/mol
Molecular Formula C20H21ClN6O3
Exact Mass 428.136366 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8JKnr4SRHX0
Name 7-chloro-3-{4-oxo-4-[4-(2-pyrimidinyl)-1-piperazinyl]butyl}-2,4(1H,3H)-quinazolinedione
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 428.136366257 u
Formula C20H21ClN6O3
InChI InChI=1S/C20H21ClN6O3/c21-14-4-5-15-16(13-14)24-20(30)27(18(15)29)8-1-3-17(28)25-9-11-26(12-10-25)19-22-6-2-7-23-19/h2,4-7,13H,1,3,8-12H2,(H,24,30)
InChIKey JPCABEFLHFZEIB-UHFFFAOYSA-N
Molecular Weight 428.880 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2020_6442
Solvent DMSO-d6
Source Vendor ID: NMR/12328620