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1,1'-Trimethylenebis[3-(8,10-dimethylisoalloxazine)]
SpectraBase Compound ID 5TMXTTZ3hqx
InChI InChI=1S/C27H24N8O4/c1-14-6-8-16-18(12-14)32(3)22-20(28-16)24(36)34(26(38)30-22)10-5-11-35-25(37)21-23(31-27(35)39)33(4)19-13-15(2)7-9-17(19)29-21/h6-9,12-13H,5,10-11H2,1-4H3
InChIKey SQCPEHCUAVGESK-UHFFFAOYSA-N
Mol Weight 524.54 g/mol
Molecular Formula C27H24N8O4
Exact Mass 524.192051 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2jC1R4vcfD0
Name 1,1'-Trimethylenebis[3-(8,10-dimethylisoalloxazine)]
Alternate Name(s) 3,3'-(propane-1,3-diyl)bis(8,10-dimethylbenzo[g]pteridine-2,4(3H,10H)-dione)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C27H24N8O4
InChI InChI=1S/C27H24N8O4/c1-14-6-8-16-18(12-14)32(3)22-20(28-16)24(36)34(26(38)30-22)10-5-11-35-25(37)21-23(31-27(35)39)33(4)19-13-15(2)7-9-17(19)29-21/h6-9,12-13H,5,10-11H2,1-4H3
InChIKey SQCPEHCUAVGESK-UHFFFAOYSA-N
Molecular Weight 524.541 g/mol
SMILES C1(N=C2C(C(=O)N1CCCN1C(C=3C(=NC1=O)N(c1cc(ccc1N3)C)C)=O)=Nc1ccc(cc1N2C)C)=O
SPLASH splash10-014i-0290010000-b231150351effd802d53
Source of Spectrum K-127-1663-21
Wiley ID 1792401