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Anti-6-Methyl-4-oxo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromene-3-carbonitrile
SpectraBase Compound ID ybrZeU923o
InChI InChI=1S/C17H12FNO2/c1-10-2-7-15-13(8-10)16(20)14(9-19)17(21-15)11-3-5-12(18)6-4-11/h2-8,14,17H,1H3/t14-,17+/m0/s1
InChIKey LQWYQNUUDJEXAO-WMLDXEAASA-N
Mol Weight 281.29 g/mol
Molecular Formula C17H12FNO2
Exact Mass 281.085207 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 84RanK9fnxh
Name Anti-6-Methyl-4-oxo-2-(4-fluorophenyl)-3,4-dihydro-2H-chromene-3-carbonitrile
Alternate Name(s) (2S,3R)-2-(4-fluorophenyl)-6-methyl-4-oxochroman-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12FNO2
InChI InChI=1S/C17H12FNO2/c1-10-2-7-15-13(8-10)16(20)14(9-19)17(21-15)11-3-5-12(18)6-4-11/h2-8,14,17H,1H3/t14-,17+/m0/s1
InChIKey LQWYQNUUDJEXAO-WMLDXEAASA-N
Literature Reference DOI 10.1002/adsc.200700581
Molecular Weight 281.286 g/mol
SMILES [C@@]1([C@](C(c2cc(ccc2O1)C)=O)(C#N)[H])(c1ccc(cc1)F)[H]
SPLASH splash10-001i-3970000000-929e61e7d6c246cd0dec
Source of Spectrum ASC-350-817/SM5-4d
Wiley ID 1766158