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Octadecanyl 3,3-dideuterio-pentadecanoate
SpectraBase Compound ID FhyUrFzNZCa
InChI InChI=1S/C33H66O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-35-33(34)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h3-32H2,1-2H3/i29D2
InChIKey QLRQYXXXYHVFED-DNBURNPGSA-N
Mol Weight 496.9 g/mol
Molecular Formula C33H642D2O2
Exact Mass 496.518835 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GrA4G8G2CFC
Name Octadecanyl 3,3-dideuterio-pentadecanoate
CAS Registry Number 34689-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H64D2O2
InChI InChI=1S/C33H66O2/c1-3-5-7-9-11-13-15-17-18-19-20-22-24-26-28-30-32-35-33(34)31-29-27-25-23-21-16-14-12-10-8-6-4-2/h3-32H2,1-2H3/i29D2
InChIKey QLRQYXXXYHVFED-DNBURNPGSA-N
Molecular Weight 496.901 g/mol
SMILES C(=O)(OCCCCCCCCCCCCCCCCCC)CC(CCCCCCCCCCCC)([2D])[2D]
SPLASH splash10-052e-9230000000-3cf6be0ed0786306cd87
Source of Spectrum EP-5172-0-0
Wiley ID 1398014