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[2H5]-ethyl butanoate

View entire compound with spectra: 2 MS (GC)

[2H5]-ethyl butanoate
SpectraBase Compound ID KRzJYFaOVaN
InChI InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3/i2D3,4D2
InChIKey OBNCKNCVKJNDBV-PVGOWFQYSA-N
Mol Weight 121.19 g/mol
Molecular Formula C6H7D5O2
Exact Mass 121.115113 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2uJZLd4XBbt
Name [2H5]-ethyl butanoate
Copyright Database Compilation Copyright © 2023-2024 John Wiley and Sons, Inc. Copyright © 2023-2024 John Wiley and Sons, Inc., Portions Copyright Wiley-VCH GmbH, Adams Library under license from Diablo Analytical. All Rights Reserved.
Exact Mass 121.115113354 u
Formula C6H7D5O2
InChI InChI=1S/C6H12O2/c1-3-5-6(7)8-4-2/h3-5H2,1-2H3/i2D3,4D2
InChIKey OBNCKNCVKJNDBV-PVGOWFQYSA-N
Instrument Name Agilent Technologies 6890N-5973N
Ionization Type EI
Literature Reference DOI 10.1016/j.fochx.2019.100038
Molecular Weight 121.191 g/mol
Number of Peaks 10
SMILES C([D])([D])(C([D])([D])[D])OC(CCC)=O
SPLASH splash10-0006-9000000000-b4bd02c22e104c90ab4e
Source of Spectrum FCX-3-3-[2H5]-ethyl butanoate (DOI: 10.1016/j.fochx.2019.100038)
Wiley ID 1857445