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11(D3)-methyloctadec-12-enoic acid methyl ester
SpectraBase Compound ID 9GI8URoGFog
InChI InChI=1S/C20H38O2/c1-4-5-6-10-13-16-19(2)17-14-11-8-7-9-12-15-18-20(21)22-3/h13,16,19H,4-12,14-15,17-18H2,1-3H3/i2D3
InChIKey FNCRUMDNSQYSFR-BMSJAHLVSA-N
Mol Weight 313.5 g/mol
Molecular Formula C20H35D3O2
Exact Mass 313.306011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KW6Bb23eRCS
Name 11(D3)-methyloctadec-12-enoic acid methyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H35D3O2
InChI InChI=1S/C20H38O2/c1-4-5-6-10-13-16-19(2)17-14-11-8-7-9-12-15-18-20(21)22-3/h13,16,19H,4-12,14-15,17-18H2,1-3H3/i2D3
InChIKey FNCRUMDNSQYSFR-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 313.540 g/mol
SMILES CCCCCC=CC(CCCCCCCCCC(OC)=O)C([D])([D])[D]
SPLASH splash10-0ab9-9300000000-9b84377bcda5a7c78180
Source of Spectrum A7-20-1998-Fig 1c
Wiley ID 1857567