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5-(dimethylsulfonio)-3-[2-(4-fluorophenyl)ethyl]-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinolate
SpectraBase Compound ID 2Soz6V7Gxrn
InChI InChI=1S/C14H15FN2O3S/c1-21(2)11-12(18)16-14(20)17(13(11)19)8-7-9-3-5-10(15)6-4-9/h3-6H,7-8H2,1-2H3,(H-,16,18,19,20)
InChIKey RBMGRBQMFWSYDN-UHFFFAOYSA-N
Mol Weight 310.34 g/mol
Molecular Formula C14H15FN2O3S
Exact Mass 310.078742 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 7rerZisFxSb
Name {1-[2-(4-fluorophenyl)ethyl]-2-oxido-4,6-dioxo-1,4,5,6-tetrahydropyridin-3-yl}dimethylsulfanium
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 310.078741685 u
Formula C14H15FN2O3S
InChI InChI=1S/C14H15FN2O3S/c1-21(2)11-12(18)16-14(20)17(13(11)19)8-7-9-3-5-10(15)6-4-9/h3-6H,7-8H2,1-2H3,(H-,16,18,19,20)
InChIKey RBMGRBQMFWSYDN-UHFFFAOYSA-N
Molecular Weight 310.343 g/mol
NMR Offset 18.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_15338
Solvent DMSO-d6
Source Vendor ID: NMR/10321790; Lab Info: LP; Lab Number: LP-1708367