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7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[benzyl(methyl)amino]-3-methyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID GRQ7SIXDmwG
InChI InChI=1S/C24H24N6O3S/c1-28(15-16-9-4-3-5-10-16)22-26-20-19(21(31)27-23(32)29(20)2)30(22)13-8-14-34-24-25-17-11-6-7-12-18(17)33-24/h3-7,9-12H,8,13-15H2,1-2H3,(H,27,31,32)
InChIKey RJAVCWCYWFJOSM-UHFFFAOYSA-N
Mol Weight 476.56 g/mol
Molecular Formula C24H24N6O3S
Exact Mass 476.16306 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 77mIo2ZnH6T
Name 7-[3-(1,3-benzoxazol-2-ylsulfanyl)propyl]-8-[benzyl(methyl)amino]-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/C24H24N6O3S/c1-28(15-16-9-4-3-5-10-16)22-26-20-19(21(31)27-23(32)29(20)2)30(22)13-8-14-34-24-25-17-11-6-7-12-18(17)33-24/h3-7,9-12H,8,13-15H2,1-2H3,(H,27,31,32)
InChIKey RJAVCWCYWFJOSM-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_22034
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: D58182; Labnumber: UZ01F011-4199; SBI_ID: SBI-022038
Temperature 318 °C