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Glyceryl tri(5,5-dideuterioheptadecanoate)
SpectraBase Compound ID 1zpNCl3lknS
InChI InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/i37D2,38D2,39D2
InChIKey FBFWDBGUSMGXPI-PMSKCOJYSA-N
Mol Weight 855.5 g/mol
Molecular Formula C54H982D6O6
Exact Mass 854.820952 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3vniuihQZs
Name Glyceryl tri(5,5-dideuterioheptadecanoate)
CAS Registry Number 30719-33-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C54H98D6O6
InChI InChI=1S/C54H104O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43-46-52(55)58-49-51(60-54(57)48-45-42-39-36-33-30-27-24-21-18-15-12-9-6-3)50-59-53(56)47-44-41-38-35-32-29-26-23-20-17-14-11-8-5-2/h51H,4-50H2,1-3H3/i37D2,38D2,39D2
InChIKey FBFWDBGUSMGXPI-PMSKCOJYSA-N
Molecular Weight 855.457 g/mol
SMILES C(OC(COC(=O)CCCC(CCCCCCCCCCCC)([2D])[2D])COC(=O)CCCC(CCCCCCCCCCCC)([2D])[2D])(=O)CCCC(CCCCCCCCCCCC)([2D])[2D]
SPLASH splash10-0a4l-9211010000-dda08a0ca61f020bdebc
Source of Spectrum HO-0-1702-0
Wiley ID 66894