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4,6(1H,5H)-pyrimidinedione, 1-ethyldihydro-5-[(2E)-3-(2-nitrophenyl)-2-propenylidene]-2-thioxo-, (5Z)-
SpectraBase Compound ID 5cyPtEwae2X
InChI InChI=1S/C15H13N3O4S/c1-2-17-14(20)11(13(19)16-15(17)23)8-5-7-10-6-3-4-9-12(10)18(21)22/h3-9H,2H2,1H3,(H,16,19,23)/b7-5+,11-8-
InChIKey LQMOGSZBRIMXNJ-BFPPUAHJSA-N
Mol Weight 331.35 g/mol
Molecular Formula C15H13N3O4S
Exact Mass 331.062677 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID I7GoAbhlzlN
Name 4,6(1H,5H)-pyrimidinedione, 1-ethyldihydro-5-[(2E)-3-(2-nitrophenyl)-2-propenylidene]-2-thioxo-, (5Z)-
Copyright Copyright © 2022-2024 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 331.062677081 u
Formula C15H13N3O4S
InChI InChI=1S/C15H13N3O4S/c1-2-17-14(20)11(13(19)16-15(17)23)8-5-7-10-6-3-4-9-12(10)18(21)22/h3-9H,2H2,1H3,(H,16,19,23)/b7-5+,11-8-
InChIKey LQMOGSZBRIMXNJ-BFPPUAHJSA-N
Molecular Weight 331.346 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_5081
Solvent DMSO-d6
Source Vendor ID: NMR/9301119; Lab Info: LP; Lab Number: LP-1701100