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(E)-Methyl 2,2-dimethylhex-4-enoate
SpectraBase Compound ID 6QbPjrK9Zem
InChI InChI=1S/C9H16O2/c1-5-6-7-9(2,3)8(10)11-4/h5-6H,7H2,1-4H3/b6-5+
InChIKey TYDZQSBZCCSUBM-AATRIKPKSA-N
Mol Weight 156.22 g/mol
Molecular Formula C9H16O2
Exact Mass 156.11503 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ORWzROxhSa
Name (E)-Methyl 2,2-dimethylhex-4-enoate
Appearance Colorless liquid
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Exact Mass 156.115029753 u
Formula C9H16O2
InChI InChI=1S/C9H16O2/c1-5-6-7-9(2,3)8(10)11-4/h5-6H,7H2,1-4H3/b6-5+
InChIKey TYDZQSBZCCSUBM-AATRIKPKSA-N
Instrument Name Shimadzu GCMS-QP2010S
Ionization Type EI
Literature Reference DOI 10.1002/anie.201710895
Molecular Weight 156.225 g/mol
Quality 308
SMILES COC(C(C\C=C\C)(C)C)=O
SPLASH splash10-0pba-9400000000-331f88be01cad3423d6d
Sample Comments Major
Source of Spectrum ACI-57-SM39-13n (DOI: 10.1002/anie.201710895)
Wiley ID 1890777