Debug Info

object
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_id
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p4MCTVnMG
spectrumID
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p4MCTVnMG
cost
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1
specType
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131072
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dbLocation
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WMS3X:75803:1
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properties
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analyticalTechnique
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MS (GC)
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Mass Spectrum (GC)
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compound
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1735074081058
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(E)-7-ketooct-2-enoic acid methyl ester
SpectraBase Compound ID E9yDUXBmvKj
InChI InChI=1S/C9H14O3/c1-8(10)6-4-3-5-7-9(11)12-2/h5,7H,3-4,6H2,1-2H3/b7-5+
InChIKey CZDIAFWZQBFKHZ-FNORWQNLSA-N
Mol Weight 170.21 g/mol
Molecular Formula C9H14O3
Exact Mass 170.094294 g/mol
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Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID p4MCTVnMG
Name (E)-7-ketooct-2-enoic acid methyl ester
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C9H14O3
InChI InChI=1S/C9H14O3/c1-8(10)6-4-3-5-7-9(11)12-2/h5,7H,3-4,6H2,1-2H3/b7-5+
InChIKey CZDIAFWZQBFKHZ-FNORWQNLSA-N
Molecular Weight 170.208 g/mol
SMILES C(\C=C\CCCC(C)=O)(=O)OC
SPLASH splash10-03ei-4900000000-4f23fbfbd3e788c43c84
Source of Spectrum B-51-14-12
Synonyms Methyl (E)-7-oxooct-2-enoate (E)-7-oxo-2-octenoic acid methyl ester Methyl (E)-7-oxidanylideneoct-2-enoate
Wiley ID 746026
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