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Glyceral tri-6,7-dideutero stearate

View entire compound with spectra: 4 MS (GC)

Glyceral tri-6,7-dideutero stearate
SpectraBase Compound ID JlSaZHPG5o
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/i34D,35D,36D,37D,38D,39D
InChIKey DCXXMTOCNZCJGO-RFIDDPIASA-N
Mol Weight 897.5 g/mol
Molecular Formula C57H1042D6O6
Exact Mass 896.867902 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3DA2QTncSO
Name Glyceral tri-6,7-dideutero stearate
CAS Registry Number 55256-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C57H104D6O6
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/i34D,35D,36D,37D,38D,39D
InChIKey DCXXMTOCNZCJGO-RFIDDPIASA-N
Molecular Weight 897.538 g/mol
SMILES C(OC(COC(=O)CCCCC(C(CCCCCCCCCCC)[2D])[2D])COC(=O)CCCCC(C(CCCCCCCCCCC)[2D])[2D])(=O)CCCCC(C(CCCCCCCCCCC)[2D])[2D]
SPLASH splash10-0btd-9001002000-8bd1d88e54d5620a1ba9
Source of Spectrum Va-0-0-0
Synonyms glyceryl tri(6,7-dideuterio-octadecanoate)
Wiley ID 742838