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[2H5]-ethyl octanoate

View entire compound with spectra: 2 MS (GC)

[2H5]-ethyl octanoate
SpectraBase Compound ID 9J8i2ffSDzt
InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3/i2D3,4D2
InChIKey YYZUSRORWSJGET-PVGOWFQYSA-N
Mol Weight 177.3 g/mol
Molecular Formula C10H15D5O2
Exact Mass 177.177714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DZ0aAQz4dPA
Name [2H5]-ethyl octanoate
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 177.177713611 u
Formula C10H15D5O2
InChI InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3/i2D3,4D2
InChIKey YYZUSRORWSJGET-PVGOWFQYSA-N
Instrument Name Agilent Technologies 6890N-5973N
Ionization Type EI
Literature Reference DOI 10.1016/j.fochx.2019.100038
Molecular Weight 177.299 g/mol
Number of Peaks 12
SMILES C([D])([D])(C([D])([D])[D])OC(CCCCCCC)=O
SPLASH splash10-052f-9100000000-e2c813558d118f95774e
Source of Spectrum FCX-3-3-[2H5]-ethyl octanoate (DOI: 10.1016/j.fochx.2019.100038)
Wiley ID 1857451