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4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-2-one
SpectraBase Compound ID Hbcjln7hscS
InChI InChI=1S/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3
InChIKey PSQYTAPXSHCGMF-UHFFFAOYSA-N
Mol Weight 192.3 g/mol
Molecular Formula C13H20O
Exact Mass 192.151415 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9MtEtkqNK97
Name 1,3,3-trimethyl-2-(3-oxobut-1-enyl)cyclohex-1-ene
Carrier Gas Helium (75 kPa) (2.5 ml/min)
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Formula C13H20O
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/C13H20O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h7-8H,5-6,9H2,1-4H3
InChIKey PSQYTAPXSHCGMF-UHFFFAOYSA-N
Inlet Type Split (1:24)
Instrument Name Shimadzu GC 14A
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240141118
Molecular Weight 192.302 g/mol
Quality 218
SMILES CC1(C(=C(CCC1)C)C=CC(C)=O)C
SPLASH splash10-004l-4900000000-3e7a62a0ad15b1186e53
Source of Spectrum HRC-14-774-34 (DOI: 10.1002/jhrc.1240141118)
Wiley ID 1910737