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[3,3,4,4]-2H4-hexanoic acid
SpectraBase Compound ID DgzQ9u5GMDG
InChI InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/i3D2,4D2
InChIKey FUZZWVXGSFPDMH-KHORGVISSA-N
Mol Weight 120.18 g/mol
Molecular Formula C6H8D4O2
Exact Mass 120.108837 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GXZSYfhzw4K
Name [3,3,4,4]-2H4-hexanoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C6H8D4O2
InChI InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8)/i3D2,4D2
InChIKey FUZZWVXGSFPDMH-KHORGVISSA-N
Instrument Name Agilent Technologies 6890N-5973N
Ionization Type EI
Literature Reference DOI 10.1016/j.fochx.2019.100038
Molecular Weight 120.184 g/mol
SMILES OC(CC([D])(C([D])([D])CC)[D])=O
SPLASH splash10-03di-9000000000-1f901120aa04a708b396
Source of Spectrum FCX-3-3-[3,3,4,4]-2H4-hexanoic acid
Wiley ID 1857454