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2-METHOXYPSOROMIC-ACID;4-FORMYL-3-HYDROXY-2,8-DIMETHOXY-1,9-DIMETHYL-11-OXO-11H-DIBENZO-[B,E]-[1,4]-DIOXEPIN-6-CARBOXYLIC-ACID
SpectraBase Compound ID Hj13E8NEP5N
InChI InChI=1S/C19H16O9/c1-7-11(25-3)5-9(18(22)23)17-15(7)28-19(24)12-8(2)14(26-4)13(21)10(6-20)16(12)27-17/h5-6,21H,1-4H3,(H,22,23)
InChIKey CUTKOMMVYWFNIB-UHFFFAOYSA-N
Mol Weight 388.33 g/mol
Molecular Formula C19H16O9
Exact Mass 388.079432 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID S4hWygk3qg
Name 2-Methoxypsoromic acid
Alternate Name(s) 4-formyl-3-hydroxy-2,8-dimethoxy-1,9-dimethyl-11-oxo-11H-dibenzo[b,e][1,4]dioxepin-6-carboxylic acid
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Formula C19H16O9
InChI InChI=1S/C19H16O9/c1-7-11(25-3)5-9(18(22)23)17-15(7)28-19(24)12-8(2)14(26-4)13(21)10(6-20)16(12)27-17/h5-6,21H,1-4H3,(H,22,23)
InChIKey CUTKOMMVYWFNIB-UHFFFAOYSA-N
Molecular Weight 388.328 g/mol
SMILES Oc1c(c(c2c(Oc3c(C(=O)O)cc(c(c3OC2=O)C)OC)c1C=O)C)OC
SPLASH splash10-0a4j-0915000000-1d8984766d1fc095f24e
Source of Spectrum B-52-718-9
Wiley ID 810926