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7-(2-chlorobenzyl)-1,3-dimethyl-8-[(1-methyl-2-propenyl)sulfanyl]-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID BKDvDShjWR2
InChI InChI=1S/C18H19ClN4O2S/c1-5-11(2)26-17-20-15-14(16(24)22(4)18(25)21(15)3)23(17)10-12-8-6-7-9-13(12)19/h5-9,11H,1,10H2,2-4H3
InChIKey YMCKZZRYBAGYJV-UHFFFAOYSA-N
Mol Weight 390.89 g/mol
Molecular Formula C18H19ClN4O2S
Exact Mass 390.091725 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 4IQuwufgB6h
Name 7-(2-chlorobenzyl)-1,3-dimethyl-8-[(1-methyl-2-propenyl)sulfanyl]-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/C18H19ClN4O2S/c1-5-11(2)26-17-20-15-14(16(24)22(4)18(25)21(15)3)23(17)10-12-8-6-7-9-13(12)19/h5-9,11H,1,10H2,2-4H3
InChIKey YMCKZZRYBAGYJV-UHFFFAOYSA-N
NMR Offset 15.328
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_7602
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: D31290; Labnumber: UZ01F011-2275; SBI_ID: SBI-007605
Temperature 318 °C