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7-benzyl-1,3-dimethyl-8-(3-toluidino)-3,7-dihydro-1H-purine-2,6-dione

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7-benzyl-1,3-dimethyl-8-(3-toluidino)-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID 4wnhDzbQabh
InChI InChI=1S/C21H21N5O2/c1-14-8-7-11-16(12-14)22-20-23-18-17(19(27)25(3)21(28)24(18)2)26(20)13-15-9-5-4-6-10-15/h4-12H,13H2,1-3H3,(H,22,23)
InChIKey CFIOKJRTLCPCJD-UHFFFAOYSA-N
Mol Weight 375.43 g/mol
Molecular Formula C21H21N5O2
Exact Mass 375.169525 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID BR5kGeJ5mLd
Name 7-benzyl-1,3-dimethyl-8-(3-toluidino)-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/C21H21N5O2/c1-14-8-7-11-16(12-14)22-20-23-18-17(19(27)25(3)21(28)24(18)2)26(20)13-15-9-5-4-6-10-15/h4-12H,13H2,1-3H3,(H,22,23)
InChIKey CFIOKJRTLCPCJD-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_20146
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: D16310; Labnumber: UZROM-3408; SBI_ID: SBI-020150
Temperature 318 °C