For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.

8-Aminocaffeine

View entire compound with spectra: 1 NMR, and 1 MS (GC)

8-Aminocaffeine
SpectraBase Compound ID 9KU69zQskIa
InChI InChI=1S/C8H11N5O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3,(H2,9,10)
InChIKey PQEIUJGJYPUELF-UHFFFAOYSA-N
Mol Weight 209.21 g/mol
Molecular Formula C8H11N5O2
Exact Mass 209.091275 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 5RThSqWiyTF
Name 8-amino-1,3,7-trimethyl-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/C8H11N5O2/c1-11-4-5(10-7(11)9)12(2)8(15)13(3)6(4)14/h1-3H3,(H2,9,10)
InChIKey PQEIUJGJYPUELF-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_ASIOH_7000_4252
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: NMR/8315531; Labnumber: LP-3700625; IOH_ID: IOH-004253
Temperature 303 °C