Debug Info

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GbyIMSkI4h0
spectrumID
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GbyIMSkI4h0
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Mass Spectrum (GC)
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2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-phenylethenyl)-, (E)-
SpectraBase Compound ID 3cecrkHRkUf
InChI InChI=1S/C14H14N2O3/c1-2-14(9-8-10-6-4-3-5-7-10)11(17)15-13(19)16-12(14)18/h3-9H,2H2,1H3,(H2,15,16,17,18,19)/b9-8+
InChIKey QAHAXKRHQGXQDP-CMDGGOBGSA-N
Mol Weight 258.28 g/mol
Molecular Formula C14H14N2O3
Exact Mass 258.100442 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GbyIMSkI4h0
Name 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-ethyl-5-(2-phenylethenyl)-, (E)-
CAS Registry Number 94567-56-3
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H14N2O3
InChI InChI=1S/C14H14N2O3/c1-2-14(9-8-10-6-4-3-5-7-10)11(17)15-13(19)16-12(14)18/h3-9H,2H2,1H3,(H2,15,16,17,18,19)/b9-8+
InChIKey QAHAXKRHQGXQDP-CMDGGOBGSA-N
Molecular Weight 258.277 g/mol
SMILES N1C(NC(C(C1=O)(\C=C\c1ccccc1)CC)=O)=O
SPLASH splash10-056r-0090000000-eb02713cf0d4e1073d0d
Source of Spectrum KC-1988-2853-34
Synonyms 5-ethyl-5-[(E)-2-phenylethenyl]-2,4,6(1H,3H,5H)-pyrimidinetrione 5-Ethyl-5-[(E)-styryl]barbituric acid
Wiley ID 1261656
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