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CIS-(2RS,4SR)-3,4-DIHYDRO-2-ISOBUTOXY-6-PHENYL-4-(2-THIENYL)-2H-PYRAN-5-CARBONITRILE
SpectraBase Compound ID IQJnP6qdvCV
InChI InChI=1S/C20H21NO2S/c1-14(2)13-22-19-11-16(18-9-6-10-24-18)17(12-21)20(23-19)15-7-4-3-5-8-15/h3-10,14,16,19H,11,13H2,1-2H3/t16-,19-/m0/s1
InChIKey CMOPHWVTWUOBQH-LPHOPBHVSA-N
Mol Weight 339.45 g/mol
Molecular Formula C20H21NO2S
Exact Mass 339.1293 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OMqntjhE8
Name (2RS,4SR)-2-Isobutoxy-3,4-dihydro-6-phenyl-4-(2'-thienyl)-2H-pyran-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H21NO2S
InChI InChI=1S/C20H21NO2S/c1-14(2)13-22-19-11-16(18-9-6-10-24-18)17(12-21)20(23-19)15-7-4-3-5-8-15/h3-10,14,16,19H,11,13H2,1-2H3/t16-,19-/m0/s1
InChIKey CMOPHWVTWUOBQH-LPHOPBHVSA-N
Molecular Weight 339.453 g/mol
SMILES C1(=C(O[C@@](C[C@@]1(c1sccc1)[H])(OCC(C)C)[H])c1ccccc1)C#N
SPLASH splash10-05n0-3490000000-fa9c49c626ba2818e6cf
Source of Spectrum AH-139-654-cis-8b
Wiley ID 1695639