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2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylic acid
SpectraBase Compound ID 3vOLcQgD6UJ
InChI InChI=1S/C10H14O2/c1-7-5-4-6-10(2,3)8(7)9(11)12/h4-5H,6H2,1-3H3,(H,11,12)
InChIKey KEKWJMVAZROFBL-UHFFFAOYSA-N
Mol Weight 166.22 g/mol
Molecular Formula C10H14O2
Exact Mass 166.09938 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID I87yBaXyK2U
Name 2,6,6-trimethylcyclohexa-1,3-diene-1-carboxylic acid
Carrier Gas Helium (75 kPa) (2.5 ml/min)
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Exact Mass 166.099379689 u
Formula C10H14O2
GC Column DB-Wax or DB-1 or DB-210 (30 m x 0.32 mm, film thickness 0.25 micrometer)
GC Oven Program Oven temp 200oC
InChI InChI=1S/C10H14O2/c1-7-5-4-6-10(2,3)8(7)9(11)12/h4-5H,6H2,1-3H3,(H,11,12)
InChIKey KEKWJMVAZROFBL-UHFFFAOYSA-N
Inlet Type Split (1:24)
Instrument Name Shimadzu GC 14A
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240141118
Molecular Weight 166.220 g/mol
Quality 216
SMILES OC(C1=C(C=CCC1(C)C)C)=O
SPLASH splash10-0a4l-5900000000-d9911108af85f9394739
Source of Spectrum HRC-14-774-27 (DOI: 10.1002/jhrc.1240141118)
Wiley ID 1910729