Debug Info

object
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_id
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FFDzfvFlzmY
spectrumID
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FFDzfvFlzmY
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131072
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analyticalTechnique
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Mass Spectrum (GC)
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(E)-Methyl 4-(4-p-tolyl)-3-butyl-4-oxobut-2-enoate
SpectraBase Compound ID B16qMo0tgVo
InChI InChI=1S/C16H20O3/c1-4-5-6-14(11-15(17)19-3)16(18)13-9-7-12(2)8-10-13/h7-11H,4-6H2,1-3H3
InChIKey ZVQRLAWCJTZVKR-UHFFFAOYSA-N
Mol Weight 260.33 g/mol
Molecular Formula C16H20O3
Exact Mass 260.141245 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FFDzfvFlzmY
Name (E)-Methyl 4-(4-p-tolyl)-3-butyl-4-oxobut-2-enoate
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C16H20O3
InChI InChI=1S/C16H20O3/c1-4-5-6-14(11-15(17)19-3)16(18)13-9-7-12(2)8-10-13/h7-11H,4-6H2,1-3H3
InChIKey ZVQRLAWCJTZVKR-UHFFFAOYSA-N
Molecular Weight 260.333 g/mol
SMILES C(=CC(=O)OC)(C(c1ccc(cc1)C)=O)CCCC
SPLASH splash10-02vi-0490000000-51229fa986cb6ff69053
Source of Spectrum F-65-9132-4mb
Wiley ID 1678889
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