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ethyl [4-(7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-piperazinyl]acetate
SpectraBase Compound ID 3Y7uPEVlDQm
InChI InChI=1S/C21H26N6O4/c1-3-31-16(28)14-25-9-11-26(12-10-25)20-22-18-17(19(29)23-21(30)24(18)2)27(20)13-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3,(H,23,29,30)
InChIKey JPMYSFAQQCMLET-UHFFFAOYSA-N
Mol Weight 426.48 g/mol
Molecular Formula C21H26N6O4
Exact Mass 426.201553 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID IRetZZ6Dw3u
Name ethyl [4-(7-benzyl-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-piperazinyl]acetate
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/C21H26N6O4/c1-3-31-16(28)14-25-9-11-26(12-10-25)20-22-18-17(19(29)23-21(30)24(18)2)27(20)13-15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3,(H,23,29,30)
InChIKey JPMYSFAQQCMLET-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22044
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: D58195; Labnumber: UZ01F011-4231; SBI_ID: SBI-022048
Temperature 318 °C