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2-[(2R,3S)-3-(4-nitrophenyl)oxiran-2-yl]-5-oxidanyl-chromen-4-one
SpectraBase Compound ID 86KbxMay4bi
InChI InChI=1S/C17H11NO6/c19-11-2-1-3-13-15(11)12(20)8-14(23-13)17-16(24-17)9-4-6-10(7-5-9)18(21)22/h1-8,16-17,19H/t16-,17-/m0/s1
InChIKey AASRCVKSQMQVCO-IRXDYDNUSA-N
Mol Weight 325.28 g/mol
Molecular Formula C17H11NO6
Exact Mass 325.058637 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HGKRerXFTPf
Name 2-[(2R,3S)-3-(4-nitrophenyl)oxiran-2-yl]-5-oxidanyl-chromen-4-one
Alternate Name(s) 5-Hydroxy-2-[(2R,3S)-3-(4-nitrophenyl)-2-oxiranyl]-1-benzopyran-4-one 5-Hydroxy-2-[(2R,3S)-3-(4-nitrophenyl)oxiran-2-yl]chromen-4-one 5-Hydroxy-2-[(2R,3S)-3-(4-nitrophenyl)oxiran-2-yl]chromone
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Formula C17H11NO6
InChI InChI=1S/C17H11NO6/c19-11-2-1-3-13-15(11)12(20)8-14(23-13)17-16(24-17)9-4-6-10(7-5-9)18(21)22/h1-8,16-17,19H/t16-,17-/m0/s1
InChIKey AASRCVKSQMQVCO-IRXDYDNUSA-N
Molecular Weight 325.276 g/mol
SMILES Oc1c2c(OC([C@@]3(O[C@]3(c3ccc(N(=O)=O)cc3)[H])[H])=CC2=O)ccc1
SPLASH splash10-0fb9-7397000000-f111e2d1dd11d3d0088b
Source of Spectrum AJ-43-1325-3
Wiley ID 1594296