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[5,5,6,5-tetradeuterate]-7-Oxododecan-3-yl acetate
SpectraBase Compound ID 9UAD0r6x6i0
InChI InChI=1S/C14H26O3/c1-4-6-7-9-13(16)10-8-11-14(5-2)17-12(3)15/h14H,4-11H2,1-3H3/i8D2,10D2
InChIKey ZRAPZBYKYCNCGW-AKGZQNITSA-N
Mol Weight 246.38 g/mol
Molecular Formula C14H22D4O3
Exact Mass 246.213302 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6RqBKXWvOrP
Name [5,5,6,5-tetradeuterate]-7-Oxododecan-3-yl acetate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22D4O3
InChI InChI=1S/C14H26O3/c1-4-6-7-9-13(16)10-8-11-14(5-2)17-12(3)15/h14H,4-11H2,1-3H3/i8D2,10D2
InChIKey ZRAPZBYKYCNCGW-AKGZQNITSA-N
Literature Reference DOI 10.1002/cbic.201000481
Molecular Weight 246.383 g/mol
SMILES C([D])(C([D])([D])CC(CC)OC(C)=O)(C(CCCCC)=O)[D]
SPLASH splash10-0006-9000000000-39a1db7eefc415ca0976
Source of Spectrum CBC-12-171-[D4]_56
Synonyms 7-Oxododecan-3-yl-5,5,6,6-d4 acetate
Wiley ID 1786717