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

*Links on SpectraBase are not permalinks.

3-Benzyl-7-methyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one

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

3-Benzyl-7-methyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one
SpectraBase Compound ID 7vbCaBHIPoh
InChI InChI=1S/C13H12N4OS/c1-16-8-14-11-10(16)12(19)15-13(18)17(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,18,19)
InChIKey KERAOQDCCCRYKN-UHFFFAOYSA-N
Mol Weight 272.33 g/mol
Molecular Formula C13H12N4OS
Exact Mass 272.073182 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 IXPTxTiPnkG
Name 2H-purin-2-one, 1,3,6,7-tetrahydro-7-methyl-3-(phenylmethyl)-6-thioxo-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 272.073182195 u
Formula C13H12N4OS
InChI InChI=1S/C13H12N4OS/c1-16-8-14-11-10(16)12(19)15-13(18)17(11)7-9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,15,18,19)
InChIKey KERAOQDCCCRYKN-UHFFFAOYSA-N
Molecular Weight 272.326 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_12035
Solvent DMSO-d6
Source Vendor ID: NMR/10271817; Lab Info: LD; Lab Number: LD-4300009