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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(5E)-1-Ethyl-5-(1H-pyrrol-2-ylmethylene)-2-thioxodihydro-4,6(1H,5H)-pyrimidinedione
SpectraBase Compound ID 725V5tTaNhR
InChI InChI=1S/C11H11N3O2S/c1-2-14-10(16)8(9(15)13-11(14)17)6-7-4-3-5-12-7/h3-6,12H,2H2,1H3,(H,13,15,17)/b8-6+
InChIKey MYACENXXIJVDCZ-SOFGYWHQSA-N
Mol Weight 249.29 g/mol
Molecular Formula C11H11N3O2S
Exact Mass 249.057198 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID LGLAgyRJec7
Name 4,6(1H,5H)-pyrimidinedione, 1-ethyldihydro-5-(1H-pyrrol-2-ylmethylene)-2-thioxo-, (5E)-
Copyright Copyright © 2022-2025 Chemical Block, Russia, Leninsky Prospect 47 - Database Compilation Copyright © 2022-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 249.057197778 u
Formula C11H11N3O2S
InChI InChI=1S/C11H11N3O2S/c1-2-14-10(16)8(9(15)13-11(14)17)6-7-4-3-5-12-7/h3-6,12H,2H2,1H3,(H,13,15,17)/b8-6+
InChIKey MYACENXXIJVDCZ-SOFGYWHQSA-N
Molecular Weight 249.288 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6220
Solvent DMSO-d6
Source Vendor ID: NMR/9301153; Lab Info: LP; Lab Number: LP-1701145