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1,1-Dideuterio-octadecanyl octadecanoate
SpectraBase Compound ID LRMXVykuxb2
InChI InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3/i35D2
InChIKey NKBWPOSQERPBFI-ZREVDOHUSA-N
Mol Weight 539.0 g/mol
Molecular Formula C36H702D2O2
Exact Mass 538.565785 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9kf9dUJIBh1
Name 1,1-Dideuterio-octadecanyl octadecanoate
CAS Registry Number 34689-04-8
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C36H70D2O2
InChI InChI=1S/C36H72O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-38-36(37)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-35H2,1-2H3/i35D2
InChIKey NKBWPOSQERPBFI-ZREVDOHUSA-N
Molecular Weight 538.982 g/mol
SMILES C(=O)(OC(CCCCCCCCCCCCCCCCC)([2D])[2D])CCCCCCCCCCCCCCCCC
SPLASH splash10-052r-9220000000-94a95d02ed7f6332eb0c
Source of Spectrum EP-5173-0-0
Wiley ID 1404152