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(10-13C)-(E)-6,10-Dimethylundeca-5,9-dien-2-one
SpectraBase Compound ID kEi5P7AxJ9
InChI InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+/i11+1
InChIKey HNZUNIKWNYHEJJ-UHPUYFIBSA-N
Mol Weight 195.31 g/mol
Molecular Formula C1213CH22O
Exact Mass 195.17042 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJMiMmPaAUZ
Name (10-13C)-(E)-6,10-Dimethylundeca-5,9-dien-2-one
Carrier Gas Helium (1 mL/min)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 195.170420162 u
Formula C12[13C]H22O
GC Column HP5-MS (30 m x 0.25 mm, film thickness 0.50 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C13H22O/c1-11(2)7-5-8-12(3)9-6-10-13(4)14/h7,9H,5-6,8,10H2,1-4H3/b12-9+/i11+1
InChIKey HNZUNIKWNYHEJJ-UHPUYFIBSA-N
Inlet Type Split (10:1)
Instrument Name Agilent 7890B-Agilent 5977A inert MSD
Ionization Type EI
Literature Reference DOI 10.1002/anie.201608042
Molecular Weight 195.310 g/mol
Quality 429
SMILES C(CC=[13C](C)C)\C(C)=C\CCC(=O)C
SPLASH splash10-0006-9300000000-4cecd55510d767fe4cca
Source of Spectrum ACI-55-SM19-(10-13C)-27 (DOI: 10.1002/anie.201608042)
Thin-Layer Chromatography 0.41 (cyclohexane/EtOAc, 10:1)
Wiley ID 1908165