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16,19-Dimethoxy-3-methyl[4]metacyclo[3](10,16)-isoalloxazinophane
SpectraBase Compound ID A2KICiCKOlK
InChI InChI=1S/C26H28N4O4/c1-29-25(31)22-24(28-26(29)32)30-13-7-11-18-15-19(33-2)14-17(23(18)34-3)9-5-4-8-16-10-6-12-20(30)21(16)27-22/h6,10,12,14-15H,4-5,7-9,11,13H2,1-3H3
InChIKey NRCAKWNOJZSNPX-UHFFFAOYSA-N
Mol Weight 460.53 g/mol
Molecular Formula C26H28N4O4
Exact Mass 460.211055 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EN8xCttjDx4
Name 16,19-Dimethoxy-3-methyl[4]metacyclo[3](10,16)-isoalloxazinophane
Alternate Name(s) 25,27-dimethoxy-9-methyl-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 C26H28N4O4
InChI InChI=1S/C26H28N4O4/c1-29-25(31)22-24(28-26(29)32)30-13-7-11-18-15-19(33-2)14-17(23(18)34-3)9-5-4-8-16-10-6-12-20(30)21(16)27-22/h6,10,12,14-15H,4-5,7-9,11,13H2,1-3H3
InChIKey NRCAKWNOJZSNPX-UHFFFAOYSA-N
Molecular Weight 460.534 g/mol
SMILES C=12C(=NC(N(C2=O)C)=O)N2CCCc3c(OC)c(CCCCc4c(N1)c2ccc4)cc(c3)OC
SPLASH splash10-03di-0020900000-9fa68a35229eb2583f22
Source of Spectrum U-1995-1833-2
Wiley ID 767567