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(3S,5S)-exo-6-Chloro-3-(5-cyano-2-phenyloxazol-3-yl)benzopyran-4-one
SpectraBase Compound ID AeBG8ckbIiD
InChI InChI=1S/C19H13ClN2O3/c20-12-6-7-18-15(8-12)19(23)16(11-24-18)17-9-14(10-21)25-22(17)13-4-2-1-3-5-13/h1-8,11,14,17H,9H2/t14-,17-/m0/s1
InChIKey FOIUODVQDYZCRI-YOEHRIQHSA-N
Mol Weight 352.78 g/mol
Molecular Formula C19H13ClN2O3
Exact Mass 352.06147 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4wUF6XyvzPt
Name (3S,5S)-exo-6-Chloro-3-(5-cyano-2-phenyloxazol-3-yl)benzopyran-4-one
Alternate Name(s) (3S,5S)-3-(6-chloro-4-oxo-4H-chromen-3-yl)-2-phenyl-5-isoxazolidinecarbonitrile (3S,5S)-exo-6-Chloro-3-(5-cyano-2-phenylisoxazolidin-3-yl)benzopyran-4-one exo-6-Chloro-3-(5-cyano-2-phenyloxazol-3-yl)benzopyran-4-one
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Formula C19H13ClN2O3
InChI InChI=1S/C19H13ClN2O3/c20-12-6-7-18-15(8-12)19(23)16(11-24-18)17-9-14(10-21)25-22(17)13-4-2-1-3-5-13/h1-8,11,14,17H,9H2/t14-,17-/m0/s1
InChIKey FOIUODVQDYZCRI-YOEHRIQHSA-N
Molecular Weight 352.777 g/mol
SMILES C=1([C@]2(N(O[C@@](C2)(C#N)[H])c2ccccc2)[H])C(c2cc(Cl)ccc2OC1)=O
SPLASH splash10-000b-0090000000-65e2a5536f13a95a5a8a
Source of Spectrum F-56-7824-14
Wiley ID 858800