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Methyl 4,5,7,8,10,11,13,14,16,17,19,20-D12 docosanoate
SpectraBase Compound ID Dm6chXnWVhX
InChI InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3/i4D,5D,7D,8D,10D,11D,13D,14D,16D,17D,19D,20D
InChIKey QSQLTHHMFHEFIY-CWSSBATFSA-N
Mol Weight 366.7 g/mol
Molecular Formula C23H342D12O2
Exact Mass 366.425102 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lh9AbarnBCs
Name Methyl 4,5,7,8,10,11,13,14,16,17,19,20-D12 docosanoate
CAS Registry Number 56555-09-0
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H34D12O2
InChI InChI=1S/C23H46O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23(24)25-2/h3-22H2,1-2H3/i4D,5D,7D,8D,10D,11D,13D,14D,16D,17D,19D,20D
InChIKey QSQLTHHMFHEFIY-CWSSBATFSA-N
Molecular Weight 366.692 g/mol
SMILES C(=O)(OC)CCC(C(CC(C(CC(C(CC(C(CC(C(CC(C(CC)[2D])[2D])[2D])[2D])[2D])[2D])[2D])[2D])[2D])[2D])[2D])[2D]
SPLASH splash10-009i-9101000000-2aaafbbc352a4a48a4f4
Source of Spectrum EP-5014-0-0
Wiley ID 1344976