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4-[(2S)-Tetrahydro-2H-pyran-2-yl]benzonitrile
SpectraBase Compound ID 2FXD7ZbVF1u
InChI InChI=1S/C12H13NO/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12/h4-7,12H,1-3,8H2/t12-/m0/s1
InChIKey OBFUHAMFGFXHMP-LBPRGKRZSA-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 D6cVviKI5DZ
Name 4-[(2S)-Tetrahydro-2H-pyran-2-yl]benzonitrile
Alternate Name(s) (S)-4-(tetrahydro-2H-pyran-2-yl)benzonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H13NO
InChI InChI=1S/C12H13NO/c13-9-10-4-6-11(7-5-10)12-3-1-2-8-14-12/h4-7,12H,1-3,8H2/t12-/m0/s1
InChIKey OBFUHAMFGFXHMP-LBPRGKRZSA-N
Literature Reference DOI 10.1021/acs.joc.5b01199
Molecular Weight 187.242 g/mol
SMILES c1c(C#N)ccc([C@@]2(CCCCO2)[H])c1
SPLASH splash10-053r-3900000000-865e367562379cd7884f
Source of Spectrum J-80-8108-5c
Wiley ID 1801603