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Ethyl (11-13C)-(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate
SpectraBase Compound ID 33oDUP1YDOb
InChI InChI=1S/C17H28O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h9,11,13H,6-8,10,12H2,1-5H3/b15-11+,16-13-/i14+1
InChIKey RAVLTUCAFRTDRY-TVZQVMENSA-N
Mol Weight 265.4 g/mol
Molecular Formula C1613CH28O2
Exact Mass 265.212285 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IyElnkqfIwA
Name Ethyl (11-13C)-(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-trienoate
Carrier Gas Helium (1 mL/min)
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Exact Mass 265.212284975 u
Formula C16[13C]H28O2
GC Column HP5-MS (30 m x 0.25 mm, film thickness 0.50 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C17H28O2/c1-6-19-17(18)13-16(5)12-8-11-15(4)10-7-9-14(2)3/h9,11,13H,6-8,10,12H2,1-5H3/b15-11+,16-13-/i14+1
InChIKey RAVLTUCAFRTDRY-TVZQVMENSA-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 265.401 g/mol
Quality 417
SMILES C(CC=[13C](C)C)\C(C)=C\CC\C(C)=C/C(OCC)=O
SPLASH splash10-00di-9600000000-76ebfc69c9a8e5138efd
Sample Comments (2Z)-isomer
Source of Spectrum ACI-55-SM20-(11-13C)-28 (DOI: 10.1002/anie.201608042)
Thin-Layer Chromatography 0.59 (cyclohexane/EtOAc, 10:1)
Wiley ID 1908166