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Glyceryl tri(2,2-dideuteriotetradecanoate)
SpectraBase Compound ID FQ5nPxujEUX
InChI InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3/i37D2,38D2,39D2
InChIKey DUXYWXYOBMKGIN-PMSKCOJYSA-N
Mol Weight 729.2 g/mol
Molecular Formula C45H802D6O6
Exact Mass 728.680101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4Hga9v4btV3
Name Glyceryl tri(2,2-dideuteriotetradecanoate)
CAS Registry Number 30719-22-3
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C45H80D6O6
InChI InChI=1S/C45H86O6/c1-4-7-10-13-16-19-22-25-28-31-34-37-43(46)49-40-42(51-45(48)39-36-33-30-27-24-21-18-15-12-9-6-3)41-50-44(47)38-35-32-29-26-23-20-17-14-11-8-5-2/h42H,4-41H2,1-3H3/i37D2,38D2,39D2
InChIKey DUXYWXYOBMKGIN-PMSKCOJYSA-N
Molecular Weight 729.214 g/mol
SMILES C(OC(COC(=O)C(CCCCCCCCCCCC)([2D])[2D])COC(=O)C(CCCCCCCCCCCC)([2D])[2D])(=O)C(CCCCCCCCCCCC)([2D])[2D]
SPLASH splash10-0btd-9231200000-162c8645b47131f0e256
Source of Spectrum HO-0-1675-0
Wiley ID 66448