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3-Bromo-4-(but-3-yn-1-ol)pyridine
SpectraBase Compound ID 5ENHtKazbwf
InChI InChI=1S/C9H8BrNO/c1-2-3-9(12)7-4-5-11-6-8(7)10/h1,4-6,9,12H,3H2
InChIKey SJTKMDANVNHIGF-UHFFFAOYSA-N
Mol Weight 226.07 g/mol
Molecular Formula C9H8BrNO
Exact Mass 224.978927 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GvwaNHA1QRk
Name 3-Bromo-4-(but-3-yn-1-ol)pyridine
Alternate Name(s) 1-(3-bromo-4-pyridinyl)-3-butyn-1-ol 1-(3-bromopyridin-4-yl)but-3-yn-1-ol 1-(3-bromanylpyridin-4-yl)but-3-yn-1-ol
Comments Less than 3 mono-isotopic peaks
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Formula C9H8BrNO
InChI InChI=1S/C9H8BrNO/c1-2-3-9(12)7-4-5-11-6-8(7)10/h1,4-6,9,12H,3H2
InChIKey SJTKMDANVNHIGF-UHFFFAOYSA-N
Molecular Weight 226.073 g/mol
SMILES OC(c1c(Br)cncc1)CC#C
SPLASH splash10-002r-0980000000-29acc6820b9be5d96bcc
Source of Spectrum F-56-403-12
Wiley ID 855544