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1-(3-chloro-4-methylphenyl)-3-[(4,6-dihydroxy-5-propyl-2-pyrimidinyl)sulfanyl]-2,5-pyrrolidinedione
SpectraBase Compound ID JYGLfh78KsC
InChI InChI=1S/C18H18ClN3O4S/c1-3-4-11-15(24)20-18(21-16(11)25)27-13-8-14(23)22(17(13)26)10-6-5-9(2)12(19)7-10/h5-7,13H,3-4,8H2,1-2H3,(H2,20,21,24,25)
InChIKey RJFHYABRPJLWNP-UHFFFAOYSA-N
Mol Weight 407.87 g/mol
Molecular Formula C18H18ClN3O4S
Exact Mass 407.070655 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 8qiZImIvQoB
Name 1-(3-chloro-4-methylphenyl)-3-[(4,6-dihydroxy-5-propyl-2-pyrimidinyl)sulfanyl]-2,5-pyrrolidinedione
Author A.V.Yarkov, IPAC, Russia
Copyright Copyright © 2016-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2016-2021 John Wiley & Sons, Inc. All Rights Reserved.
InChI InChI=1S/C18H18ClN3O4S/c1-3-4-11-15(24)20-18(21-16(11)25)27-13-8-14(23)22(17(13)26)10-6-5-9(2)12(19)7-10/h5-7,13H,3-4,8H2,1-2H3,(H2,20,21,24,25)
InChIKey RJFHYABRPJLWNP-UHFFFAOYSA-N
NMR Offset 18.0059
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_9852
Owner Copyright (C) 2016 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright (C) 2016 John Wiley & Sons, Inc.
Sample State soluted
Solvent DMSO-d6
Source File Reference VendorID: D60744; Labnumber: VGU-30258; SBI_ID: SBI-009855
Temperature 306 °C