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Glyceryl tri-2,2-dideuterio dodecanoate
SpectraBase Compound ID BoLudxf76tZ
InChI InChI=1S/C39H74O6/c1-4-7-10-13-16-19-22-25-28-31-37(40)43-34-36(45-39(42)33-30-27-24-21-18-15-12-9-6-3)35-44-38(41)32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3/i31D2,32D2,33D2
InChIKey VMPHSYLJUKZBJJ-KUSSIAPISA-N
Mol Weight 645.1 g/mol
Molecular Formula C39H682D6O6
Exact Mass 644.586201 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7XKAomFMxq9
Name Glyceryl tri-2,2-dideuterio dodecanoate
CAS Registry Number 56599-44-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C39H68D6O6
InChI InChI=1S/C39H74O6/c1-4-7-10-13-16-19-22-25-28-31-37(40)43-34-36(45-39(42)33-30-27-24-21-18-15-12-9-6-3)35-44-38(41)32-29-26-23-20-17-14-11-8-5-2/h36H,4-35H2,1-3H3/i31D2,32D2,33D2
InChIKey VMPHSYLJUKZBJJ-KUSSIAPISA-N
Molecular Weight 645.052 g/mol
SMILES C(OC(COC(=O)C(CCCCCCCCCC)([2D])[2D])COC(=O)C(CCCCCCCCCC)([2D])[2D])(=O)C(CCCCCCCCCC)([2D])[2D]
SPLASH splash10-0a5c-9411100000-6125098bc244c71b1a94
Source of Spectrum EP-5322-0-0
Wiley ID 1412533