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(5E)-1-(2,4-dimethylphenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione

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(5E)-1-(2,4-dimethylphenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 4e3FPWGVVBK
InChI InChI=1S/C17H15N3O2S/c1-10-5-6-14(11(2)8-10)20-16(22)13(15(21)19-17(20)23)9-12-4-3-7-18-12/h3-9,18H,1-2H3,(H,19,21,23)/b13-9+
InChIKey CDGKDRDUEKWNBS-UKTHLTGXSA-N
Mol Weight 325.39 g/mol
Molecular Formula C17H15N3O2S
Exact Mass 325.088498 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID 1iBDSeqBSOX
Name (5E)-1-(2,4-dimethylphenyl)-5-(1H-pyrrol-2-ylmethylene)-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/C17H15N3O2S/c1-10-5-6-14(11(2)8-10)20-16(22)13(15(21)19-17(20)23)9-12-4-3-7-18-12/h3-9,18H,1-2H3,(H,19,21,23)/b13-9+
InChIKey CDGKDRDUEKWNBS-UKTHLTGXSA-N
NMR Offset 15.449
NMR Spectrometer Frequency 300.135
Observed nucleus 1H
Origin 1H_SBI_36227_13574
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: D86247; Labnumber: KV-2477; SBI_ID: SBI-013577
Synonyms 1-(2,4-dimethylphenyl)-5-(1H-pyrrol-2-ylmethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
Temperature 308 °C