Debug Info

object
{15}
_id
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DlenB8KlVOh
spectrumID
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DlenB8KlVOh
cost
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1
specType
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131072
xnmrNucleus
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dbLocation
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WMSL3X:187717:1
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properties
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analyticalTechnique
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MS (GC)
analyticalTechniqueLongName
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Mass Spectrum (GC)
isFullSpectrum
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spectralOutlier
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compound
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(Z)-1,2,3,4-Tetra(3-methylphenyl)-2-butene-1,4-dione
SpectraBase Compound ID BMBqWZ9Fj8N
InChI InChI=1S/C32H28O2/c1-21-9-5-13-25(17-21)29(31(33)27-15-7-11-23(3)19-27)30(26-14-6-10-22(2)18-26)32(34)28-16-8-12-24(4)20-28/h5-20H,1-4H3/b30-29-
InChIKey VJAQDFCSXPNJRX-FLWNBWAVSA-N
Mol Weight 444.6 g/mol
Molecular Formula C32H28O2
Exact Mass 444.20893 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DlenB8KlVOh
Name (Z)-1,2,3,4-Tetra(3-methylphenyl)-2-butene-1,4-dione
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H28O2
InChI InChI=1S/C32H28O2/c1-21-9-5-13-25(17-21)29(31(33)27-15-7-11-23(3)19-27)30(26-14-6-10-22(2)18-26)32(34)28-16-8-12-24(4)20-28/h5-20H,1-4H3/b30-29-
InChIKey VJAQDFCSXPNJRX-FLWNBWAVSA-N
Molecular Weight 444.574 g/mol
SMILES C(\C(=C/(C(c1cc(C)ccc1)=O)c1cc(C)ccc1)c1cc(C)ccc1)(c1cc(C)ccc1)=O
SPLASH splash10-016u-0735900000-ee721c88e42613ff5e9e
Source of Spectrum O1-31-1366-2
Synonyms (2Z)-1,2,3,4-tetrakis(3-methylphenyl)-2-butene-1,4-dione
Wiley ID 818913
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