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3-[8-(cyclohexylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanenitrile
SpectraBase Compound ID 9R2vPcErQUY
InChI InChI=1S/C16H22N6O2/c1-20-13-12(14(23)21(2)16(20)24)22(10-6-9-17)15(19-13)18-11-7-4-3-5-8-11/h11H,3-8,10H2,1-2H3,(H,18,19)
InChIKey MGTLYGWJLXZENF-UHFFFAOYSA-N
Mol Weight 330.39 g/mol
Molecular Formula C16H22N6O2
Exact Mass 330.180424 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID depxSw4OJ1
Name 3-[8-(cyclohexylamino)-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]propanenitrile
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/C16H22N6O2/c1-20-13-12(14(23)21(2)16(20)24)22(10-6-9-17)15(19-13)18-11-7-4-3-5-8-11/h11H,3-8,10H2,1-2H3,(H,18,19)
InChIKey MGTLYGWJLXZENF-UHFFFAOYSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_25052
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: D49467; Labnumber: UZROM-3792; SBI_ID: SBI-025056
Temperature 308 °C