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1-(but-1-enyl)-2,6,6-trimethylcyclohexa-1,3-diene
SpectraBase Compound ID BjqBqLSBi9K
InChI InChI=1S/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h6-9H,5,10H2,1-4H3
InChIKey BMMPTAAWKXDVRK-UHFFFAOYSA-N
Mol Weight 176.3 g/mol
Molecular Formula C13H20
Exact Mass 176.156501 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2a2W74xqxWy
Name 1-(but-1-enyl)-2,6,6-trimethylcyclohexa-1,3-diene
Carrier Gas Helium (75 kPa) (2.5 ml/min)
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Formula C13H20
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/C13H20/c1-5-6-9-12-11(2)8-7-10-13(12,3)4/h6-9H,5,10H2,1-4H3
InChIKey BMMPTAAWKXDVRK-UHFFFAOYSA-N
Inlet Type Split (1:24)
Instrument Name Shimadzu GC 14A
Ionization Type EI
Literature Reference DOI 10.1002/jhrc.1240141118
Molecular Weight 176.303 g/mol
Quality 142
SMILES C(=CCC)C1=C(C=CCC1(C)C)C
SPLASH splash10-0cfu-1900000000-7764f580abafc6d2d5fd
Source of Spectrum HRC-14-774-30 (DOI: 10.1002/jhrc.1240141118)
Wiley ID 1910733