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8-Chloro-1,3-dimethyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione

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

8-Chloro-1,3-dimethyl-7-nonyl-3,7-dihydro-1H-purine-2,6-dione
SpectraBase Compound ID F65q9f1WQR0
InChI InChI=1S/C16H25ClN4O2/c1-4-5-6-7-8-9-10-11-21-12-13(18-15(21)17)19(2)16(23)20(3)14(12)22/h4-11H2,1-3H3
InChIKey ILPQSDANZQKBNX-UHFFFAOYSA-N
Mol Weight 340.86 g/mol
Molecular Formula C16H25ClN4O2
Exact Mass 340.166604 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EJGYziiSwSq
Name 1H-purine-2,6-dione, 8-chloro-3,7-dihydro-1,3-dimethyl-7-nonyl-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 340.166603759 u
Formula C16H25ClN4O2
InChI InChI=1S/C16H25ClN4O2/c1-4-5-6-7-8-9-10-11-21-12-13(18-15(21)17)19(2)16(23)20(3)14(12)22/h4-11H2,1-3H3
InChIKey ILPQSDANZQKBNX-UHFFFAOYSA-N
Molecular Weight 340.855 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4782
Solvent DMSO-d6
Source Vendor ID: NMR/9311328; Lab Info: SAD; Lab Number: SAD-das1103