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16,19-Dimethoxy[4]metacyclo[3](10,16)-isoalloxazinophane
SpectraBase Compound ID L7IZjB35kgo
InChI InChI=1S/C25H26N4O4/c1-32-18-13-16-8-4-3-7-15-9-5-11-19-20(15)26-21-23(27-25(31)28-24(21)30)29(19)12-6-10-17(14-18)22(16)33-2/h5,9,11,13-14H,3-4,6-8,10,12H2,1-2H3,(H,28,30,31)
InChIKey IWMVWOVYYULMLO-UHFFFAOYSA-N
Mol Weight 446.51 g/mol
Molecular Formula C25H26N4O4
Exact Mass 446.195405 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2HGOOlJ2S44
Name 16,19-Dimethoxy[4]metacyclo[3](10,16)-isoalloxazinophane
Alternate Name(s) 25,27-dimethoxy-5,7,9,12-tetraazapentacyclo[21.3.1.0(5,14).0(6,11).0(13,18)]heptacosa-1(27),6,11,13,15,17,23,25-octaene-8,10-dione
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Formula C25H26N4O4
InChI InChI=1S/C25H26N4O4/c1-32-18-13-16-8-4-3-7-15-9-5-11-19-20(15)26-21-23(27-25(31)28-24(21)30)29(19)12-6-10-17(14-18)22(16)33-2/h5,9,11,13-14H,3-4,6-8,10,12H2,1-2H3,(H,28,30,31)
InChIKey IWMVWOVYYULMLO-UHFFFAOYSA-N
Molecular Weight 446.507 g/mol
SMILES N1C(C=2C(=NC1=O)N1c3c(N2)c(CCCCc2c(c(CCC1)cc(c2)OC)OC)ccc3)=O
SPLASH splash10-0002-1030900000-16482a53b17adc1829b7
Source of Spectrum U-1995-1833-1
Wiley ID 767568