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.beta.-lactone of 2-carboxy-3-hydroxy-2-methyl-2,3-dihydroisoflavone
SpectraBase Compound ID 5tUknFtflsg
InChI InChI=1S/C17H12O4/c1-16-15(19)21-17(16,11-7-3-2-4-8-11)14(18)12-9-5-6-10-13(12)20-16/h2-10H,1H3/t16-,17?/m0/s1
InChIKey JWUKYIWPKUTLJO-BHWOMJMDSA-N
Mol Weight 280.28 g/mol
Molecular Formula C17H12O4
Exact Mass 280.073559 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ETQ66200Ott
Name .beta.-lactone of 2-carboxy-3-hydroxy-2-methyl-2,3-dihydroisoflavone
CAS Registry Number 113180-56-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H12O4
InChI InChI=1S/C17H12O4/c1-16-15(19)21-17(16,11-7-3-2-4-8-11)14(18)12-9-5-6-10-13(12)20-16/h2-10H,1H3/t16-,17?/m0/s1
InChIKey JWUKYIWPKUTLJO-BHWOMJMDSA-N
Molecular Weight 280.279 g/mol
SMILES [C@]12(C(C(=O)c3c(O2)cccc3)(c2ccccc2)OC1=O)C
SPLASH splash10-000i-0090000000-55320a55f0e88aa5a2da
Source of Spectrum J-53-1355-7
Synonyms (2aR)-2a-methyl-8a-phenyl-2a,8a-dihydrooxeto[3,2-b]chromene-2,8-dione
Wiley ID 1284069