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ethyl 4-(3-methyl-2,6-dioxo-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-piperazinecarboxylate
SpectraBase Compound ID 7OFFWSJxuer
InChI InChI=1S/C22H26N10O4S/c1-3-36-22(35)30-11-9-29(10-12-30)19-23-17-16(18(33)24-20(34)28(17)2)31(19)13-14-37-21-25-26-27-32(21)15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3,(H,24,33,34)
InChIKey UQXJTANXOQQRFI-UHFFFAOYSA-N
Mol Weight 526.58 g/mol
Molecular Formula C22H26N10O4S
Exact Mass 526.185921 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID GO1PrIA7OPw
Name ethyl 4-(3-methyl-2,6-dioxo-7-{2-[(1-phenyl-1H-tetraazol-5-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purin-8-yl)-1-piperazinecarboxylate
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/C22H26N10O4S/c1-3-36-22(35)30-11-9-29(10-12-30)19-23-17-16(18(33)24-20(34)28(17)2)31(19)13-14-37-21-25-26-27-32(21)15-7-5-4-6-8-15/h4-8H,3,9-14H2,1-2H3,(H,24,33,34)
InChIKey UQXJTANXOQQRFI-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_21980
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: D58121; Labnumber: UZ01F011-4119; SBI_ID: SBI-021984
Temperature 308 °C