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Buta-1,3-dien-1-yl propanoate
SpectraBase Compound ID G7cQho2jRle
InChI InChI=1S/C7H10O2/c1-3-5-6-9-7(8)4-2/h3,5-6H,1,4H2,2H3/b6-5+
InChIKey QHUMBMNURYIBCB-AATRIKPKSA-N
Mol Weight 126.15 g/mol
Molecular Formula C7H10O2
Exact Mass 126.06808 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1IEjWqWj9dj
Name Buta-1,3-dien-1-yl propanoate
Comments Edited after expert review for CH2Cl2 contamination - Original record with SpectrumID 847242 moved to the Legacy library
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C7H10O2
InChI InChI=1S/C7H10O2/c1-3-5-6-9-7(8)4-2/h3,5-6H,1,4H2,2H3/b6-5+
InChIKey QHUMBMNURYIBCB-AATRIKPKSA-N
Molecular Weight 126.155 g/mol
SMILES C(CC)(=O)O\C=C\C=C
SPLASH splash10-0a4i-9200000000-6dfd9f33591dbdee1638
Source of Spectrum H-83-2272-0
Synonyms (1E)-1,3-butadienyl propionate Propanoic acid[(1E)-buta-1,3-dienyl]ester Propionic acid[(1E)-buta-1,3-dienyl]ester [(1E)-buta-1,3-dienyl]propanoate Propanoic acid [(1E)-buta-1,3-dienyl] ester [(1E)-buta-1,3-dienyl] propanoate
Wiley ID 1821230