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8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Cm3Yfsfpu5N
InChI InChI=1S/C24H33ClN6O2/c1-3-4-5-6-7-8-12-31-20-21(28(2)24(33)27-22(20)32)26-23(31)30-15-13-29(14-16-30)19-11-9-10-18(25)17-19/h9-11,17H,3-8,12-16H2,1-2H3,(H,27,32,33)
InChIKey PHNGHKJRSFYHOZ-UHFFFAOYSA-N
Mol Weight 473.0 g/mol
Molecular Formula C24H33ClN6O2
Exact Mass 472.235352 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID F0s5Ct1cImh
Name 8-[4-(3-chlorophenyl)-1-piperazinyl]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-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/C24H33ClN6O2/c1-3-4-5-6-7-8-12-31-20-21(28(2)24(33)27-22(20)32)26-23(31)30-15-13-29(14-16-30)19-11-9-10-18(25)17-19/h9-11,17H,3-8,12-16H2,1-2H3,(H,27,32,33)
InChIKey PHNGHKJRSFYHOZ-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7643
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: D31346; Labnumber: UZ01F011-2596; SBI_ID: SBI-007646
Temperature 318 °C