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(2R)-2-[(R)-hydroxy(phenyl)methyl]pentanenitrile
SpectraBase Compound ID BlxM6NkAU0U
InChI InChI=1S/C12H15NO/c1-2-6-11(9-13)12(14)10-7-4-3-5-8-10/h3-5,7-8,11-12,14H,2,6H2,1H3/t11-,12+/m1/s1
InChIKey CMJFIJJHWGTYFM-NEPJUHHUSA-N
Mol Weight 189.26 g/mol
Molecular Formula C12H15NO
Exact Mass 189.115364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7JgdEpeAMTc
Name (2R)-2-[(R)-hydroxy(phenyl)methyl]pentanenitrile
Alternate Name(s) (2R)-2-[(R)-hydroxy(phenyl)methyl]valeronitrile (2R)-2-[(R)-oxidanyl(phenyl)methyl]pentanenitrile
Comments Less than 3 mono-isotopic peaks
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Formula C12H15NO
InChI InChI=1S/C12H15NO/c1-2-6-11(9-13)12(14)10-7-4-3-5-8-10/h3-5,7-8,11-12,14H,2,6H2,1H3/t11-,12+/m1/s1
InChIKey CMJFIJJHWGTYFM-NEPJUHHUSA-N
Molecular Weight 189.258 g/mol
SMILES O[C@]([C@@](C#N)(CCC)[H])(c1ccccc1)[H]
SPLASH splash10-0a4i-0900000000-9ec12e50469ddc51af31
Source of Spectrum KD-12-1488-3
Wiley ID 1634492