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2-Deuterioglyceryl trioctadecanoate
SpectraBase Compound ID 2uMZZHDNH1Z
InChI InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/i54D
InChIKey DCXXMTOCNZCJGO-QKWWOYIDSA-N
Mol Weight 892.5 g/mol
Molecular Formula C57H1092DO6
Exact Mass 891.836518 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CNmL0svPo6Z
Name 2-Deuterioglyceryl trioctadecanoate
CAS Registry Number 30719-38-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C57H109DO6
InChI InChI=1S/C57H110O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-49-55(58)61-52-54(63-57(60)51-48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)53-62-56(59)50-47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h54H,4-53H2,1-3H3/i54D
InChIKey DCXXMTOCNZCJGO-QKWWOYIDSA-N
Molecular Weight 892.507 g/mol
SMILES C(OC(COC(=O)CCCCCCCCCCCCCCCCC)(COC(=O)CCCCCCCCCCCCCCCCC)[2D])(=O)CCCCCCCCCCCCCCCCC
SPLASH splash10-0a4l-9212001000-8aeab178179f52ea342f
Source of Spectrum HO-0-1638-0
Wiley ID 66964