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1-t-Butyl-1H-cyclopent[a]azulene
SpectraBase Compound ID EdqyiVBXyBX
InChI InChI=1S/C17H18/c1-17(2,3)16-10-9-14-13-8-6-4-5-7-12(13)11-15(14)16/h4-8,10-11H,9H2,1-3H3
InChIKey XLJAKLPLLZLMMQ-UHFFFAOYSA-N
Mol Weight 222.33 g/mol
Molecular Formula C17H18
Exact Mass 222.140851 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B6b31wnOeBL
Name 1-t-Butyl-1H-cyclopent[a]azulene
Comments Less than 3 mono-isotopic peaks
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Formula C17H18
InChI InChI=1S/C17H18/c1-17(2,3)16-10-9-14-13-8-6-4-5-7-12(13)11-15(14)16/h4-8,10-11H,9H2,1-3H3
InChIKey XLJAKLPLLZLMMQ-UHFFFAOYSA-N
Molecular Weight 222.331 g/mol
SMILES c12c(c3cccccc3c2)CC=C1C(C)(C)C
SPLASH splash10-014i-0930000000-ac1680a2bbefb620fc86
Source of Spectrum AJ-66-249-11
Synonyms 1-t-Butyl-3H-cyclopent[a]azulene 1-tert-butyl-1H-cyclopenta[a]azulene
Wiley ID 771948