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6-[(3,5-DIMETHYLPHENYL)-THIO]-URACIL

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6-[(3,5-DIMETHYLPHENYL)-THIO]-URACIL
SpectraBase Compound ID A3c3Ceflhmh
InChI InChI=1S/C12H12N2O2S/c1-7-3-8(2)5-9(4-7)17-11-6-10(15)13-12(16)14-11/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKey XKXJHDQZNORIEY-UHFFFAOYSA-N
Mol Weight 248.3 g/mol
Molecular Formula C12H12N2O2S
Exact Mass 248.061949 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6T9qeev84KK
Name 6-[(3,5-DIMETHYLPHENYL)-THIO]-URACIL
Compound Number 2B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C12H12N2O2S
InChI InChI=1S/C12H12N2O2S/c1-7-3-8(2)5-9(4-7)17-11-6-10(15)13-12(16)14-11/h3-6H,1-2H3,(H2,13,14,15,16)
InChIKey XKXJHDQZNORIEY-UHFFFAOYSA-N
Literature Reference Author A.A.EL-EMAM,E.B.PEDERSEN,J.P.JACOBSEN,C.NIELSEN
Literature Reference Citation BULL.SOC.CHIM.FR.,130,817(1993)
Molecular Weight 248.299 g/mol
Solvent DMSO-D6
Source File Reference UWSK2126