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Octadecanyl 4,4-dideuterio hexadecanoate

View entire compound with spectra: 1 MS (GC)

Octadecanyl 4,4-dideuterio hexadecanoate
SpectraBase Compound ID EsMdjaAIXLH
InChI InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-33H2,1-2H3/i28D2
InChIKey BILPUZXRUDPOOF-UGAJWJONSA-N
Mol Weight 510.9 g/mol
Molecular Formula C34H662D2O2
Exact Mass 510.534485 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CZMf1EJ5E8y
Name Octadecanyl 4,4-dideuterio hexadecanoate
CAS Registry Number 34689-03-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C34H66D2O2
InChI InChI=1S/C34H68O2/c1-3-5-7-9-11-13-15-17-18-19-21-23-25-27-29-31-33-36-34(35)32-30-28-26-24-22-20-16-14-12-10-8-6-4-2/h3-33H2,1-2H3/i28D2
InChIKey BILPUZXRUDPOOF-UGAJWJONSA-N
Molecular Weight 510.928 g/mol
SMILES C(=O)(OCCCCCCCCCCCCCCCCCC)CCC(CCCCCCCCCCCC)([2D])[2D]
SPLASH splash10-0a4i-9230000000-ab8de63f3cfa8f188ad8
Source of Spectrum EP-5175-0-0
Wiley ID 1400279