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(2R*,4S*)-2-( Isobutoxy)-6-phenyl-4-( 4'-nitrophenyl)-3,4-dihydro-2H-pyran-5-carbonitrile
SpectraBase Compound ID 2ryIBCmba4j
InChI InChI=1S/C22H22N2O4/c1-15(2)14-27-21-12-19(16-8-10-18(11-9-16)24(25)26)20(13-23)22(28-21)17-6-4-3-5-7-17/h3-11,15,19,21H,12,14H2,1-2H3/t19-,21+/m0/s1
InChIKey KLXMZZGKIAHNDY-PZJWPPBQSA-N
Mol Weight 378.43 g/mol
Molecular Formula C22H22N2O4
Exact Mass 378.157957 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID rt1qyc3okm
Name (2R*,4S*)-2-( Isobutoxy)-6-phenyl-4-( 4'-nitrophenyl)-3,4-dihydro-2H-pyran-5-carbonitrile
Alternate Name(s) (2R,4S)-2-isobutoxy-4-(4-nitrophenyl)-6-phenyl-3,4-dihydro-2H-pyran-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H22N2O4
InChI InChI=1S/C22H22N2O4/c1-15(2)14-27-21-12-19(16-8-10-18(11-9-16)24(25)26)20(13-23)22(28-21)17-6-4-3-5-7-17/h3-11,15,19,21H,12,14H2,1-2H3/t19-,21+/m0/s1
InChIKey KLXMZZGKIAHNDY-PZJWPPBQSA-N
Molecular Weight 378.428 g/mol
SMILES C1(=C(O[C@](C[C@]1(c1ccc(N(=O)=O)cc1)[H])(OCC(C)C)[H])c1ccccc1)C#N
SPLASH splash10-0a4i-7914000000-4cc19bf88c0004e83962
Source of Spectrum AH-128-1166-3
Wiley ID 1358854