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4,5,7-trimethyl-3-thioxooctahydro-6H-imidazo[4,5-e][1,2,4]triazin-6-one
SpectraBase Compound ID Cps35Zvc54S
InChI InChI=1S/C7H13N5OS/c1-10-4-5(12(3)7(10)13)11(2)6(14)9-8-4/h4-5,8H,1-3H3,(H,9,14)
InChIKey TYFPRPPVBNEGDJ-UHFFFAOYSA-N
Mol Weight 215.28 g/mol
Molecular Formula C7H13N5OS
Exact Mass 215.084081 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID HcskhXeZO01
Name 6H-imidazo[4,5-e][1,2,4]triazin-6-one, octahydro-4,5,7-trimethyl-3-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 215.084081232 u
Formula C7H13N5OS
InChI InChI=1S/C7H13N5OS/c1-10-4-5(12(3)7(10)13)11(2)6(14)9-8-4/h4-5,8H,1-3H3,(H,9,14)
InChIKey TYFPRPPVBNEGDJ-UHFFFAOYSA-N
Molecular Weight 215.275 g/mol
NMR Offset 16.0087
NMR Spectrometer Frequency 500.133
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_4785
Solvent DMSO-d6
Source Vendor ID: NMR/9233159; Lab Info: POV; Lab Number: POV-1300014