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2H-Pyran-2-acetonitrile, tetrahydro-.alpha.-methyl-, (R*,S*)-
SpectraBase Compound ID K0wqKKybDEs
InChI InChI=1S/C8H13NO/c1-7(6-9)8-4-2-3-5-10-8/h7-8H,2-5H2,1H3/t7-,8+/m0/s1
InChIKey BDIHDNOMSMMYTL-JGVFFNPUSA-N
Mol Weight 139.2 g/mol
Molecular Formula C8H13NO
Exact Mass 139.099714 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 52AOdx0u2Rz
Name 2H-Pyran-2-acetonitrile, tetrahydro-.alpha.-methyl-, (R*,S*)-
Alternate Name(s) (2S)-2-[(2R)-tetrahydro-2H-pyran-2-yl]propanenitrile Erythro-2-(.alpha.tetrahydropyrannyl)-propionitrile
CAS Registry Number 75394-86-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13NO
InChI InChI=1S/C8H13NO/c1-7(6-9)8-4-2-3-5-10-8/h7-8H,2-5H2,1H3/t7-,8+/m0/s1
InChIKey BDIHDNOMSMMYTL-JGVFFNPUSA-N
Molecular Weight 139.198 g/mol
SMILES C(#N)[C@@]([C@@]1(OCCCC1)[H])(C)[H]
SPLASH splash10-052o-9000000000-52db4eed7fe7d32bbedd
Source of Spectrum AC-1980-258-0
Wiley ID 1138722