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4-[(1S)-1-Hydroxy-5-(phenylselanyl)pentyl]benzonitrile
SpectraBase Compound ID GjHYPlCjySx
InChI InChI=1S/C18H19NOSe/c19-14-15-9-11-16(12-10-15)18(20)8-4-5-13-21-17-6-2-1-3-7-17/h1-3,6-7,9-12,18,20H,4-5,8,13H2/t18-/m0/s1
InChIKey CDTSSGJINRDCEG-SFHVURJKSA-N
Mol Weight 344.33 g/mol
Molecular Formula C18H19NOSe
Exact Mass 345.063186 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID F8nOU1SAEAa
Name 4-[(1S)-1-Hydroxy-5-(phenylselanyl)pentyl]benzonitrile
Alternate Name(s) (S)-4-(1-hydroxy-5-(phenylselanyl)pentyl)benzonitrile
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Formula C18H19NOSe
InChI InChI=1S/C18H19NOSe/c19-14-15-9-11-16(12-10-15)18(20)8-4-5-13-21-17-6-2-1-3-7-17/h1-3,6-7,9-12,18,20H,4-5,8,13H2/t18-/m0/s1
InChIKey CDTSSGJINRDCEG-SFHVURJKSA-N
Literature Reference DOI 10.1021/acs.joc.5b01199
Molecular Weight 344.328 g/mol
SMILES O[C@](c1ccc(cc1)C#N)(CCCC[Se]c1ccccc1)[H]
SPLASH splash10-0pdj-3901000000-25957cbd14fc762b907e
Source of Spectrum J-80-8107-4c
Wiley ID 1801598