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POLYCITRIN-A
SpectraBase Compound ID J3yREW7t1EJ
InChI InChI=1S/C24H15Br4NO5/c25-15-7-12(8-16(26)21(15)31)19-20(13-9-17(27)22(32)18(28)10-13)24(34)29(23(19)33)6-5-11-1-3-14(30)4-2-11/h1-4,7-10,30-32H,5-6H2
InChIKey RKNTTXIUBNRVNB-UHFFFAOYSA-N
Mol Weight 717.0 g/mol
Molecular Formula C24H15Br4NO5
Exact Mass 712.768375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Fz6Ub36NifY
Name 3,4-bis(3,5-dibromo-4-hydroxy-phenyl)-1-[2-(4-hydroxyphenyl)ethyl]-3-pyrroline-2,5-quinone
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Formula C24H15Br4NO5
InChI InChI=1S/C24H15Br4NO5/c25-15-7-12(8-16(26)21(15)31)19-20(13-9-17(27)22(32)18(28)10-13)24(34)29(23(19)33)6-5-11-1-3-14(30)4-2-11/h1-4,7-10,30-32H,5-6H2
InChIKey RKNTTXIUBNRVNB-UHFFFAOYSA-N
Molecular Weight 717.002 g/mol
SMILES Oc1c(cc(C=2C(N(CCc3ccc(cc3)O)C(C2c2cc(Br)c(c(c2)Br)O)=O)=O)cc1Br)Br
SPLASH splash10-00dj-0923070000-425a9f2d67a78aa9d556
Source of Spectrum F-51-9946-1
Synonyms 3,4-bis(3,5-dibromo-4-hydroxy-phenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione 3,4-bis[3,5-bis(bromanyl)-4-oxidanyl-phenyl]-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione
Wiley ID 793428