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2-Pentenenitrile, 4-hydroxy-4-methyl-
SpectraBase Compound ID AI5sK9cw1MV
InChI InChI=1S/C6H9NO/c1-6(2,8)4-3-5-7/h3-4,8H,1-2H3/b4-3-
InChIKey KJCMEVUZIWFHCJ-ARJAWSKDSA-N
Mol Weight 111.14 g/mol
Molecular Formula C6H9NO
Exact Mass 111.068414 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EqjTXYdiHYz
Name 2-Pentenenitrile, 4-hydroxy-4-methyl-
CAS Registry Number 120696-91-5
Comments Less than 3 mono-isotopic peaks
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Formula C6H9NO
InChI InChI=1S/C6H9NO/c1-6(2,8)4-3-5-7/h3-4,8H,1-2H3/b4-3-
InChIKey KJCMEVUZIWFHCJ-ARJAWSKDSA-N
Molecular Weight 111.144 g/mol
SMILES OC(\C=C/C#N)(C)C
SPLASH splash10-0002-9000000000-db9c1996c0761309bede
Source of Spectrum B-41-1105-3
Synonyms (2Z)-4-hydroxy-4-methyl-2-pentenenitrile 4-Hydroxy-4-methylpent-2-enenitrile
Wiley ID 1122848