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[7,7- (2)H2]-ethyl undecanoate
SpectraBase Compound ID CIpZawflcnD
InChI InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3/i7D2
InChIKey IAFQYUQIAOWKSB-RJSZUWSASA-N
Mol Weight 216.36 g/mol
Molecular Formula C13H24D2O2
Exact Mass 216.205834 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GTdVZ2L5dbL
Name [7,7- (2)H2]-ethyl undecanoate
Appearance Colorless liquid
Carrier Gas Helium (1.5 ml/min)
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Exact Mass 216.205833567 u
Formula C13H24D2O2
GC Column Zebron ZB5 (15 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 280 oC
InChI InChI=1S/C13H26O2/c1-3-5-6-7-8-9-10-11-12-13(14)15-4-2/h3-12H2,1-2H3/i7D2
InChIKey IAFQYUQIAOWKSB-RJSZUWSASA-N
Instrument Name Thermofisher TraceMS
Ionization Type EI
Literature Reference DOI 10.1002/chem.201405733
Molecular Weight 216.361 g/mol
Quality 66
SMILES CCCCC(CCCCCC(OCC)=O)([D])[D]
SPLASH splash10-000i-9300000000-6cedfe6f90b329a08434
Source of Spectrum QE-21-SM38-17 (DOI: 10.1002/chem.201405733)
Wiley ID 1909085