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Botryllazine A
SpectraBase Compound ID LhUrcXriMb7
InChI InChI=1S/C24H16N2O5/c27-17-7-1-14(2-8-17)20-13-25-21(23(30)15-3-9-18(28)10-4-15)22(26-20)24(31)16-5-11-19(29)12-6-16/h1-13,27-29H
InChIKey AVYFCSACADRIED-UHFFFAOYSA-N
Mol Weight 412.4 g/mol
Molecular Formula C24H16N2O5
Exact Mass 412.105922 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1OI4siXaz7x
Name Botryllazine A
Alternate Name(s) [3-(4-hydroxybenzoyl)-6-(4-hydroxyphenyl)-2-pyrazinyl](4-hydroxyphenyl)methanone
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Formula C24H16N2O5
InChI InChI=1S/C24H16N2O5/c27-17-7-1-14(2-8-17)20-13-25-21(23(30)15-3-9-18(28)10-4-15)22(26-20)24(31)16-5-11-19(29)12-6-16/h1-13,27-29H
InChIKey AVYFCSACADRIED-UHFFFAOYSA-N
Molecular Weight 412.401 g/mol
SMILES Oc1ccc(-c2cnc(c(C(c3ccc(cc3)O)=O)n2)C(c2ccc(cc2)O)=O)cc1
SPLASH splash10-01vo-7964800000-ed8a4c65f38cac766de1
Source of Spectrum F-55-13231-1
Wiley ID 839868