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1-Bromanyl-4-(3,3-dimethylbut-1-ynyl)benzene
SpectraBase Compound ID FCoQXQUBQnD
InChI InChI=1S/C12H13Br/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,1-3H3
InChIKey PQKIJHDAZKYKKN-UHFFFAOYSA-N
Mol Weight 237.14 g/mol
Molecular Formula C12H13Br
Exact Mass 236.020063 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HEtqmNlHC0Z
Name 1-bromanyl-4-(3,3-dimethylbut-1-ynyl)benzene
Comments Less than 3 mono-isotopic peaks
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Formula C12H13Br
InChI InChI=1S/C12H13Br/c1-12(2,3)9-8-10-4-6-11(13)7-5-10/h4-7H,1-3H3
InChIKey PQKIJHDAZKYKKN-UHFFFAOYSA-N
Molecular Weight 237.140 g/mol
SMILES C(#Cc1ccc(cc1)Br)C(C)(C)C
SPLASH splash10-000f-0960000000-2dbe076e2ffd3610575f
Source of Spectrum J-63-8924-4
Synonyms 1-bromo-4-(3,3-dimethylbut-1-ynyl)benzene
Wiley ID 1237836