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2,3-Dihydro-4-cyano-3,4-epoxy-2-(4'-methoxyphenyl)-4H-1-benzopyran
SpectraBase Compound ID G5WwG3sNmAQ
InChI InChI=1S/C17H13NO3/c1-19-12-8-6-11(7-9-12)15-16-17(10-18,21-16)13-4-2-3-5-14(13)20-15/h2-9,15-16H,1H3/t15-,16+,17-/m1/s1
InChIKey ZUQIIZIYPPERHO-IXDOHACOSA-N
Mol Weight 279.29 g/mol
Molecular Formula C17H13NO3
Exact Mass 279.089543 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IPYfJsFLkYZ
Name 2,3-Dihydro-4-cyano-3,4-epoxy-2-(4'-methoxyphenyl)-4H-1-benzopyran
Alternate Name(s) (1aS,2R,7bS)-2-(4-Methoxy-phenyl)-1a,2-dihydro-1,3-dioxa-cyclopropa[a]naphthalene-7b-carbonitrile 2-(4-Methoxyphenyl)-1a,2-dihydro-7bH-oxireno[2,3-c]chromene-7b-carbonitrile (1aS,2R,7bS)-2-(4-methoxyphenyl)-1a,2-dihydrooxireno[2,3-c][1]benzopyran-7b-carbonitrile
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Formula C17H13NO3
InChI InChI=1S/C17H13NO3/c1-19-12-8-6-11(7-9-12)15-16-17(10-18,21-16)13-4-2-3-5-14(13)20-15/h2-9,15-16H,1H3/t15-,16+,17-/m1/s1
InChIKey ZUQIIZIYPPERHO-IXDOHACOSA-N
Molecular Weight 279.295 g/mol
SMILES [C@@]12([C@]([C@@](c3ccc(cc3)OC)(Oc3c1cccc3)[H])(O2)[H])C#N
SPLASH splash10-0nvi-0590000000-62a082dcef79c722d763
Source of Spectrum Y-30-150-11
Wiley ID 1283103