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8-(9-acridinylsulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione

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8-(9-acridinylsulfanyl)-1,3,7-trimethyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID Fg0UYJvoXDp
InChI InChI=1S/C21H17N5O2S/c1-24-16-18(25(2)21(28)26(3)19(16)27)23-20(24)29-17-12-8-4-6-10-14(12)22-15-11-7-5-9-13(15)17/h4-11H,1-3H3
InChIKey FTNCBSDIFAZMFY-UHFFFAOYSA-N
Mol Weight 403.46 g/mol
Molecular Formula C21H17N5O2S
Exact Mass 403.110296 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID H8TMtYYk54I
Name 1H-purine-2,6-dione, 8-(9-acridinylthio)-3,7-dihydro-1,3,7-trimethyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 403.110295979 u
Formula C21H17N5O2S
InChI InChI=1S/C21H17N5O2S/c1-24-16-18(25(2)21(28)26(3)19(16)27)23-20(24)29-17-12-8-4-6-10-14(12)22-15-11-7-5-9-13(15)17/h4-11H,1-3H3
InChIKey FTNCBSDIFAZMFY-UHFFFAOYSA-N
Molecular Weight 403.460 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_17460
Solvent DMSO-d6
Source Vendor ID: NMR/10321442; Lab Info: LP; Lab Number: LP-3701312