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4-Methoxy-9-(sulfooxy)-7H-furo[3,2-g][1]benzopyran-7-one
SpectraBase Compound ID t5dZXzxjbi
InChI InChI=1S/C12H8O8S/c1-17-9-6-2-3-8(13)19-11(6)12(20-21(14,15)16)10-7(9)4-5-18-10/h2-5H,1H3,(H,14,15,16)
InChIKey RGNJJNWYLODAOY-UHFFFAOYSA-N
Mol Weight 312.25 g/mol
Molecular Formula C12H8O8S
Exact Mass 311.993988 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1sRMVHwQoyy
Name 4-Methoxy-9-(sulfooxy)-7H-furo[3,2-g][1]benzopyran-7-one
Alternate Name(s) Bergapten-8-yl Sulfate 4-Methoxy-7-oxo-7H-furo[3,2-g]chromen-9-yl hydrogen sulfate
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Formula C12H8O8S
InChI InChI=1S/C12H8O8S/c1-17-9-6-2-3-8(13)19-11(6)12(20-21(14,15)16)10-7(9)4-5-18-10/h2-5H,1H3,(H,14,15,16)
InChIKey RGNJJNWYLODAOY-UHFFFAOYSA-N
Literature Reference DOI 10.1002/hlca.200690002
Molecular Weight 312.248 g/mol
SMILES OS(=O)(=O)Oc1c2c(c(OC)c3c1OC(C=C3)=O)cco2
SPLASH splash10-015i-1590000000-a970c991b8e84bd2254e
Source of Spectrum H-89-121-2
Wiley ID 1785637