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Methyl 11-(methyl-d3)octadecanoate
SpectraBase Compound ID 8sWzETrfJJQ
InChI InChI=1S/C20H40O2/c1-4-5-6-10-13-16-19(2)17-14-11-8-7-9-12-15-18-20(21)22-3/h19H,4-18H2,1-3H3/i2D3
InChIKey OHEUQJSREGQWEP-BMSJAHLVSA-N
Mol Weight 315.6 g/mol
Molecular Formula C20H372D3O2
Exact Mass 315.321661 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IabMmOql0fn
Name 11(D3)-methyloctadecanoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H37D3O2
InChI InChI=1S/C20H40O2/c1-4-5-6-10-13-16-19(2)17-14-11-8-7-9-12-15-18-20(21)22-3/h19H,4-18H2,1-3H3/i2D3
InChIKey OHEUQJSREGQWEP-BMSJAHLVSA-N
Instrument Name HP 5890 series II plus-HP 5972
Ionization Type EI
Literature Reference DOI 10.1016/j.jasms.2009.07.020
Molecular Weight 315.556 g/mol
SMILES CCCCCCCC(CCCCCCCCCC(OC)=O)C([D])([D])[D]
SPLASH splash10-05g0-9100000000-083c0835f1a2eca97f52
Source of Spectrum A7-20-1998-Fig 1b
Wiley ID 1857566