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4-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-deuterio-cyclohexene
SpectraBase Compound ID EeejAFVMkXA
InChI InChI=1S/C12H14/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-2,4-5,8-11H,3,6-7H2/i11D
InChIKey MMTCDSITRPAIDW-WORMITQPSA-N
Mol Weight 159.25 g/mol
Molecular Formula C12H13D
Exact Mass 159.115827 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 67uNVDqnyyw
Name 4-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-deuterio-cyclohexene
Appearance Yellow oil
Carrier Gas Hydrogen (0.50 bar)
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Exact Mass 159.115827197 u
Formula C12H13D
GC Column DB-1 (30.0 m x 0.25 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 320oC
InChI InChI=1S/C12H14/c1-2-6-11(7-3-1)10-12-8-4-5-9-12/h1-2,4-5,8-11H,3,6-7H2/i11D
InChIKey MMTCDSITRPAIDW-WORMITQPSA-N
Instrument Name Finnigan MAT SSQ 7000-Thermo Scientific Trace GC Ultra
Ionization Type EI
Literature Reference DOI 10.1002/anie.202303119
Molecular Weight 159.250 g/mol
Quality 71
SMILES C1(C=C2C=CC=C2)(CC=CCC1)[D]
SPLASH splash10-05o0-3900000000-579bc6c02e8d8a7cdba9
Source of Spectrum ACI-62-SM17-2c-d1 (DOI: 10.1002/anie.202303119)
Wiley ID 1911182