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2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-methyl-, (5Z)-
SpectraBase Compound ID EncPykwKgmp
InChI InChI=1S/C13H9ClN2O5/c1-16-12(18)7(11(17)15-13(16)19)2-6-3-9-10(4-8(6)14)21-5-20-9/h2-4H,5H2,1H3,(H,15,17,19)/b7-2-
InChIKey SNLCIYHQATXFGJ-UQCOIBPSSA-N
Mol Weight 308.68 g/mol
Molecular Formula C13H9ClN2O5
Exact Mass 308.019999 g/mol

1H Nuclear Magnetic Resonance (NMR) Spectrum

1H Nuclear Magnetic Resonance (NMR) Spectrum

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SpectraBase Spectrum ID EsEjHRJAHma
Name 2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(6-chloro-1,3-benzodioxol-5-yl)methylene]-1-methyl-, (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 308.019999093 u
Formula C13H9ClN2O5
InChI InChI=1S/C13H9ClN2O5/c1-16-12(18)7(11(17)15-13(16)19)2-6-3-9-10(4-8(6)14)21-5-20-9/h2-4H,5H2,1H3,(H,15,17,19)/b7-2-
InChIKey SNLCIYHQATXFGJ-UQCOIBPSSA-N
Molecular Weight 308.677 g/mol
NMR Offset 17.0068
NMR Spectrometer Frequency 500.134
Observed nucleus 1H
Sample State Soluted
Sample_ID 1H_CB_2017_6471
Solvent DMSO-d6
Source Vendor ID: NMR/9253501; Lab Info: LP; Lab Number: LP-0020197