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6-Amino-2-[2-(4-chloro-3-methyl-phenoxy)-ethylsulfanyl]-3H-pyrimidin-4-one

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6-Amino-2-[2-(4-chloro-3-methyl-phenoxy)-ethylsulfanyl]-3H-pyrimidin-4-one
SpectraBase Compound ID 4gWlF3wzG7O
InChI InChI=1S/C13H14ClN3O2S/c1-8-6-9(2-3-10(8)14)19-4-5-20-13-16-11(15)7-12(18)17-13/h2-3,6-7H,4-5H2,1H3,(H3,15,16,17,18)
InChIKey CGIBTCITCHVTES-UHFFFAOYSA-N
Mol Weight 311.79 g/mol
Molecular Formula C13H14ClN3O2S
Exact Mass 311.049526 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 9giorW8x7Zi
Name 4(3H)-pyrimidinone, 6-amino-2-[[2-(4-chloro-3-methylphenoxy)ethyl]thio]-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.049525575 u
Formula C13H14ClN3O2S
InChI InChI=1S/C13H14ClN3O2S/c1-8-6-9(2-3-10(8)14)19-4-5-20-13-16-11(15)7-12(18)17-13/h2-3,6-7H,4-5H2,1H3,(H3,15,16,17,18)
InChIKey CGIBTCITCHVTES-UHFFFAOYSA-N
Molecular Weight 311.787 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_10652
Solvent DMSO-d6
Source Vendor ID: NMR/10252312; Lab Info: LD; Lab Number: LD-P430030