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.beta.,.beta.'-(7-methoxy-4-oxo-3,4-dihydro-2H-1,benzopyran-3,3-diyl)bispropanoic acid
SpectraBase Compound ID 6j2sXwjbgFp
InChI InChI=1S/C16H18O7/c1-22-10-2-3-11-12(8-10)23-9-16(15(11)21,6-4-13(17)18)7-5-14(19)20/h2-3,8H,4-7,9H2,1H3,(H,17,18)(H,19,20)
InChIKey YVKMBFUWWRKJRQ-UHFFFAOYSA-N
Mol Weight 322.31 g/mol
Molecular Formula C16H18O7
Exact Mass 322.105253 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JQEfGgSlElj
Name .beta.,.beta.'-(7-methoxy-4-oxo-3,4-dihydro-2H-1,benzopyran-3,3-diyl)bispropanoic acid
Alternate Name(s) 3-[3-(2-carboxyethyl)-7-methoxy-4-oxo-3,4-dihydro-2H-chromen-3-yl]propanoic acid 3-[3-(2-carboxyethyl)-7-methoxy-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl]propanoic acid 3-[3-(2-carboxyethyl)-7-methoxy-4-oxo-2H-chromen-3-yl]propanoic acid 3-[3-(2-carboxyethyl)-7-methoxy-4-oxo-chroman-3-yl]propanoic acid 3-[3-(3-hydroxy-3-oxopropyl)-7-methoxy-4-oxidanylidene-2H-chromen-3-yl]propanoic acid
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Formula C16H18O7
InChI InChI=1S/C16H18O7/c1-22-10-2-3-11-12(8-10)23-9-16(15(11)21,6-4-13(17)18)7-5-14(19)20/h2-3,8H,4-7,9H2,1H3,(H,17,18)(H,19,20)
InChIKey YVKMBFUWWRKJRQ-UHFFFAOYSA-N
Molecular Weight 322.313 g/mol
SMILES OC(CCC1(CCC(=O)O)C(c2c(OC1)cc(cc2)OC)=O)=O
SPLASH splash10-0uk9-0910000000-98f454d0e99e459da1d5
Source of Spectrum B-31-1059-0
Wiley ID 1321503