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Anti-6-Methyl-4-oxo-2-(4-methylphenyl)-3,4-dihydro-2H-chromene-3-carbonitrile
SpectraBase Compound ID HwgxOa9wORf
InChI InChI=1S/C18H15NO2/c1-11-3-6-13(7-4-11)18-15(10-19)17(20)14-9-12(2)5-8-16(14)21-18/h3-9,15,18H,1-2H3/t15-,18+/m0/s1
InChIKey RMGXLGTZPWLQOD-MAUKXSAKSA-N
Mol Weight 277.32 g/mol
Molecular Formula C18H15NO2
Exact Mass 277.110279 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1SZ697BENHV
Name Anti-6-Methyl-4-oxo-2-(4-methylphenyl)-3,4-dihydro-2H-chromene-3-carbonitrile
Alternate Name(s) (2S,3R)-6-methyl-4-oxo-2-(p-tolyl)chroman-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C18H15NO2
InChI InChI=1S/C18H15NO2/c1-11-3-6-13(7-4-11)18-15(10-19)17(20)14-9-12(2)5-8-16(14)21-18/h3-9,15,18H,1-2H3/t15-,18+/m0/s1
InChIKey RMGXLGTZPWLQOD-MAUKXSAKSA-N
Literature Reference DOI 10.1002/adsc.200700581
Molecular Weight 277.323 g/mol
SMILES [C@@]1([C@](C(c2cc(ccc2O1)C)=O)(C#N)[H])(c1ccc(cc1)C)[H]
SPLASH splash10-003r-2970000000-82e02fbf19a67f4980f3
Source of Spectrum ASC-350-817/SM5-4c
Wiley ID 1766157