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2-[(2R,3S)-3-(4-chlorophenyl)-2-oxiranyl]-5-hydroxy-1-benzopyran-4-one
SpectraBase Compound ID Aedk0zgfJjW
InChI InChI=1S/C17H11ClO4/c18-10-6-4-9(5-7-10)16-17(22-16)14-8-12(20)15-11(19)2-1-3-13(15)21-14/h1-8,16-17,19H/t16-,17-/m0/s1
InChIKey IFHULBHBKCTKEL-IRXDYDNUSA-N
Mol Weight 314.72 g/mol
Molecular Formula C17H11ClO4
Exact Mass 314.034587 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID D59uywUTz6k
Name 2-[(2R,3S)-3-(4-chlorophenyl)-2-oxiranyl]-5-hydroxy-1-benzopyran-4-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H11ClO4
InChI InChI=1S/C17H11ClO4/c18-10-6-4-9(5-7-10)16-17(22-16)14-8-12(20)15-11(19)2-1-3-13(15)21-14/h1-8,16-17,19H/t16-,17-/m0/s1
InChIKey IFHULBHBKCTKEL-IRXDYDNUSA-N
Molecular Weight 314.724 g/mol
SMILES Oc1c2c(OC([C@@]3(O[C@]3(c3ccc(cc3)Cl)[H])[H])=CC2=O)ccc1
SPLASH splash10-000i-4593000000-e43d3207cfef6c36cfc4
Source of Spectrum AJ-43-1325-3
Synonyms 2-[(2R,3S)-3-(4-chlorophenyl)oxiran-2-yl]-5-hydroxy-chromen-4-one 2-[(2R,3S)-3-(4-chlorophenyl)oxiran-2-yl]-5-hydroxy-chromone 2-[(2R,3S)-3-(4-chlorophenyl)oxiran-2-yl]-5-oxidanyl-chromen-4-one
Wiley ID 1594298