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5-{[5-(4-methyl-3-nitrophenyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 3nxUJ7RtyPa
InChI InChI=1S/C16H11N3O5S/c1-8-2-3-9(6-12(8)19(22)23)13-5-4-10(24-13)7-11-14(20)17-16(25)18-15(11)21/h2-7H,1H3,(H2,17,18,20,21,25)
InChIKey KZBCQHXZKWJVRD-UHFFFAOYSA-N
Mol Weight 357.34 g/mol
Molecular Formula C16H11N3O5S
Exact Mass 357.041942 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 955s3nUBM2k
Name 5-{[5-(4-methyl-3-nitrophenyl)-2-furyl]methylene}-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
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/C16H11N3O5S/c1-8-2-3-9(6-12(8)19(22)23)13-5-4-10(24-13)7-11-14(20)17-16(25)18-15(11)21/h2-7H,1H3,(H2,17,18,20,21,25)
InChIKey KZBCQHXZKWJVRD-UHFFFAOYSA-N
NMR Offset 15.3537
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_UBI-VK_18310_3157
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: 113069; Labnumber: PAVL-06590; VK_ID: VK-003158
Temperature 308 °C