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11-(Methyl-d3)dodecanoic acid-11,12,12,12-d4
SpectraBase Compound ID FC0jf2IClpJ
InChI InChI=1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)/i1D3,2D3,12D
InChIKey SIOLDWZBFABPJU-QLWPOVNFSA-N
Mol Weight 221.39 g/mol
Molecular Formula C13H19D7O2
Exact Mass 221.237217 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fn1HQMyq1Z3
Name 11-(Methyl-d3)dodecanoic acid-11,12,12,12-d4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 221.237217296 u
Formula C13H19D7O2
InChI InChI=1S/C13H26O2/c1-12(2)10-8-6-4-3-5-7-9-11-13(14)15/h12H,3-11H2,1-2H3,(H,14,15)/i1D3,2D3,12D
InChIKey SIOLDWZBFABPJU-QLWPOVNFSA-N
Instrument Name HP 5973-6890
Ionization Type EI
Literature Reference DOI 10.1002/anie.201611940
Molecular Weight 221.392 g/mol
Quality 484
SMILES OC(CCCCCCCCCC(C([D])([D])[D])(C([D])([D])[D])[D])=O
SPLASH splash10-024i-9200000000-277aa019879e533b85e0
Source of Spectrum ACI-56-SM40-36 (DOI: 10.1002/anie.201611940)
Wiley ID 1895649