[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 Google Search
Mol Weight	120.18 g/mol
Molecular Formula	C6H8D4O2
Exact Mass	120.108837 g/mol

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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