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2-methoxy-2-methyl-4-phenyl-3-butennitril
SpectraBase Compound ID 7fS41Wh3ig0
InChI InChI=1S/C12H13NO/c1-12(10-13,14-2)9-8-11-6-4-3-5-7-11/h3-9H,1-2H3/b9-8+
InChIKey GLSRXKWNZFXQOS-CMDGGOBGSA-N
Mol Weight 187.24 g/mol
Molecular Formula C12H13NO
Exact Mass 187.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eo7KtoOCuJi
Name 2-methoxy-2-methyl-4-phenyl-3-butennitril
Alternate Name(s) (3E)-2-methoxy-2-methyl-4-phenyl-3-butenenitrile
CAS Registry Number 100573-30-6
Comments Less than 3 mono-isotopic peaks
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Formula C12H13NO
InChI InChI=1S/C12H13NO/c1-12(10-13,14-2)9-8-11-6-4-3-5-7-11/h3-9H,1-2H3/b9-8+
InChIKey GLSRXKWNZFXQOS-CMDGGOBGSA-N
Molecular Weight 187.242 g/mol
SMILES C(#N)C(\C=C\c1ccccc1)(OC)C
SPLASH splash10-00di-0900000000-c8dfe3405e02b0a113f9
Source of Spectrum K-119-1791-41
Wiley ID 1183965