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4-DIDEUTERIO-METHYL-OCTADECANOATE
SpectraBase Compound ID 2NkGeUzGfK9
InChI InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3/i16D2
InChIKey HPEUJPJOZXNMSJ-BPPAMHLBSA-N
Mol Weight 300.5 g/mol
Molecular Formula C19H362D2O2
Exact Mass 300.299734 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CgQ7jw05SR7
Name Methyl 4,4-dideutero-octadecanoate
CAS Registry Number 19905-60-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H36D2O2
InChI InChI=1S/C19H38O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-18H2,1-2H3/i16D2
InChIKey HPEUJPJOZXNMSJ-BPPAMHLBSA-N
Molecular Weight 300.523 g/mol
SMILES C(=O)(OC)CCC(CCCCCCCCCCCCCC)([2D])[2D]
SPLASH splash10-0fbl-9111000000-4146a14012cf06c693ba
Source of Spectrum A-2-109-1
Wiley ID 1301362