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8-[4-(2-hydroxyethyl)-1-piperazinyl]-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione

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8-[4-(2-hydroxyethyl)-1-piperazinyl]-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID AsSHRiv1ktA
InChI InChI=1S/C21H25Br3N6O5/c1-27-18-16(19(33)26-21(27)34)30(20(25-18)29-4-2-28(3-5-29)6-7-31)10-13(32)11-35-17-14(23)8-12(22)9-15(17)24/h8-9,13,31-32H,2-7,10-11H2,1H3,(H,26,33,34)
InChIKey KCBYNSRFYWCWTI-UHFFFAOYSA-N
Mol Weight 681.18 g/mol
Molecular Formula C21H25Br3N6O5
Exact Mass 677.943657 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4BglAmR0YxW
Name 8-[4-(2-hydroxyethyl)-1-piperazinyl]-7-[2-hydroxy-3-(2,4,6-tribromophenoxy)propyl]-3-methyl-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/C21H25Br3N6O5/c1-27-18-16(19(33)26-21(27)34)30(20(25-18)29-4-2-28(3-5-29)6-7-31)10-13(32)11-35-17-14(23)8-12(22)9-15(17)24/h8-9,13,31-32H,2-7,10-11H2,1H3,(H,26,33,34)
InChIKey KCBYNSRFYWCWTI-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20183
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: D16362; Labnumber: UZROM-3479; SBI_ID: SBI-020187
Temperature 318 °C