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[2H5]-ethyl heptanoate

View entire compound with spectra: 2 MS (GC)

[2H5]-ethyl heptanoate
SpectraBase Compound ID Evj9bWKu37N
InChI InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3/i2D3,4D2
InChIKey TVQGDYNRXLTQAP-PVGOWFQYSA-N
Mol Weight 163.27 g/mol
Molecular Formula C9H13D5O2
Exact Mass 163.162064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EPmJUaIlurc
Name [2H5]-ethyl heptanoate
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 163.162063547 u
Formula C9H13D5O2
InChI InChI=1S/C9H18O2/c1-3-5-6-7-8-9(10)11-4-2/h3-8H2,1-2H3/i2D3,4D2
InChIKey TVQGDYNRXLTQAP-PVGOWFQYSA-N
Instrument Name Agilent Technologies 6890N-5973N
Ionization Type EI
Literature Reference DOI 10.1016/j.fochx.2019.100038
Molecular Weight 163.272 g/mol
Number of Peaks 14
SMILES C([D])([D])(C([D])([D])[D])OC(CCCCCC)=O
SPLASH splash10-0006-9200000000-a9000433a8fa843f03a3
Source of Spectrum FCX-3-3-[2H5]-ethyl heptanoate (DOI: 10.1016/j.fochx.2019.100038)
Wiley ID 1857448