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10-[3'-(1",4"-Benzoquinon-2"-yl)propyl]-3,7,8-trimethylisoalloxazine
SpectraBase Compound ID 7PVYFZjjCds
InChI InChI=1S/C22H20N4O4/c1-12-9-16-17(10-13(12)2)26(8-4-5-14-11-15(27)6-7-18(14)28)20-19(23-16)21(29)25(3)22(30)24-20/h6-7,9-11H,4-5,8H2,1-3H3
InChIKey ITHWPVFPKFXDSH-UHFFFAOYSA-N
Mol Weight 404.43 g/mol
Molecular Formula C22H20N4O4
Exact Mass 404.148455 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9UDqnbw3Sr0
Name 10-[3'-(1",4"-Benzoquinon-2"-yl)propyl]-3,7,8-trimethylisoalloxazine
Alternate Name(s) 10-[3-(3,6-dioxo-1,4-cyclohexadien-1-yl)propyl]-3,7,8-trimethylbenzo[g]pteridine-2,4(3H,10H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20N4O4
InChI InChI=1S/C22H20N4O4/c1-12-9-16-17(10-13(12)2)26(8-4-5-14-11-15(27)6-7-18(14)28)20-19(23-16)21(29)25(3)22(30)24-20/h6-7,9-11H,4-5,8H2,1-3H3
InChIKey ITHWPVFPKFXDSH-UHFFFAOYSA-N
Molecular Weight 404.426 g/mol
SMILES C=12C(=NC(N(C2=O)C)=O)N(CCCC2=CC(=O)C=CC2=O)c2c(N1)cc(c(C)c2)C
SPLASH splash10-0a4i-0950000000-db3994350783430d6867
Source of Spectrum U-1995-1835-26
Wiley ID 767557