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4,5,6.7-Tetrabromo-2-(3,4,5-trimethoxyphenyl)isoindoline-1,3-dione
SpectraBase Compound ID 8kl9kPxmbzE
InChI InChI=1S/C17H11Br4NO5/c1-25-7-4-6(5-8(26-2)15(7)27-3)22-16(23)9-10(17(22)24)12(19)14(21)13(20)11(9)18/h4-5H,1-3H3
InChIKey FUJSFYORJDNWNJ-UHFFFAOYSA-N
Mol Weight 628.89 g/mol
Molecular Formula C17H11Br4NO5
Exact Mass 624.737074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aNpkoF88AR
Name 4,5,6.7-Tetrabromo-2-(3,4,5-trimethoxyphenyl)isoindoline-1,3-dione
Alternate Name(s) 4,5,6,7-tetrabromo-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione 4,5,6,7-tetrabromo-2-(3,4,5-trimethoxyphenyl)isoindoline-1,3-dione 4,5,6,7-tetrakis(bromanyl)-2-(3,4,5-trimethoxyphenyl)isoindole-1,3-dione
Comments Less than 3 mono-isotopic peaks
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Formula C17H11Br4NO5
InChI InChI=1S/C17H11Br4NO5/c1-25-7-4-6(5-8(26-2)15(7)27-3)22-16(23)9-10(17(22)24)12(19)14(21)13(20)11(9)18/h4-5H,1-3H3
InChIKey FUJSFYORJDNWNJ-UHFFFAOYSA-N
Molecular Weight 628.893 g/mol
SMILES C1(N(C(c2c(c(c(c(c12)Br)Br)Br)Br)=O)c1cc(OC)c(c(c1)OC)OC)=O
SPLASH splash10-004i-0000009000-101bb7cfcab016e9f9ec
Source of Spectrum F2-45-1652-10b
Wiley ID 1703429