[2H5]-ethyl hexadecanoate

SpectraBase Compound ID	JLytlkaWCgR
InChI	InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3/i2D3,4D2
InChIKey	XIRNKXNNONJFQO-PVGOWFQYSA-N Google Search
Mol Weight	289.51 g/mol
Molecular Formula	C18H31D5O2
Exact Mass	289.302914 g/mol

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SpectraBase Spectrum ID	8rFnsjDYT90
Name	[2H5]-ethyl hexadecanoate
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	289.302914127 u
Formula	C18H31D5O2
InChI	InChI=1S/C18H36O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-4-2/h3-17H2,1-2H3/i2D3,4D2
InChIKey	XIRNKXNNONJFQO-PVGOWFQYSA-N
Instrument Name	Agilent Technologies 6890N-5973N
Ionization Type	EI
Literature Reference DOI	10.1016/j.fochx.2019.100038
Molecular Weight	289.515 g/mol
Number of Peaks	11
SMILES	C([D])([D])(C([D])([D])[D])OC(CCCCCCCCCCCCCCC)=O
SPLASH	splash10-052f-9200000000-ff19441e174945c7f9c3
Source of Spectrum	FCX-3-3-[2H5]-ethyl hexadecanoate (DOI: 10.1016/j.fochx.2019.100038)
Wiley ID	1857449