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(4-{[(8-allyl-2-oxo-2H-chromen-3-yl)carbonyl]amino}phenyl)acetic acid
SpectraBase Compound ID GC9pxX1Peqa
InChI InChI=1S/C21H17NO5/c1-2-4-14-5-3-6-15-12-17(21(26)27-19(14)15)20(25)22-16-9-7-13(8-10-16)11-18(23)24/h2-3,5-10,12H,1,4,11H2,(H,22,25)(H,23,24)
InChIKey NBGQYJMBCSSFDL-UHFFFAOYSA-N
Mol Weight 363.37 g/mol
Molecular Formula C21H17NO5
Exact Mass 363.110673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E5E4OCR3oID
Name (4-{[(8-allyl-2-oxo-2H-chromen-3-yl)carbonyl]amino}phenyl)acetic acid
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Formula C21H17NO5
InChI InChI=1S/C21H17NO5/c1-2-4-14-5-3-6-15-12-17(21(26)27-19(14)15)20(25)22-16-9-7-13(8-10-16)11-18(23)24/h2-3,5-10,12H,1,4,11H2,(H,22,25)(H,23,24)
InChIKey NBGQYJMBCSSFDL-UHFFFAOYSA-N
Molecular Weight 363.369 g/mol
SMILES N(C(C=1C(Oc2c(C1)cccc2CC=C)=O)=O)c1ccc(CC(=O)O)cc1
SPLASH splash10-03di-9652000000-e8ce86cf3860bca204b6
Synonyms 2-[4-[(2-oxidanylidene-8-prop-2-enyl-chromen-3-yl)carbonylamino]phenyl]ethanoic acid 2-[4-[(2-oxo-8-prop-2-enylchromene-3-carbonyl)amino]phenyl]acetic acid 2-[4-[(8-allyl-2-keto-chromene-3-carbonyl)amino]phenyl]acetic acid 2-[4-[(8-allyl-2-oxo-chromene-3-carbonyl)amino]phenyl]acetic acid 2-[4-[[oxo-(2-oxo-8-prop-2-enyl-1-benzopyran-3-yl)methyl]amino]phenyl]acetic acid
Wiley ID 1444489