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1,3-Dimethyl-6-(oct-1-ynyl)-7-(phenylethynyl)pteridine-2,4(1H,3H)-dione
SpectraBase Compound ID Kqlbhhne9ap
InChI InChI=1S/C24H24N4O2/c1-4-5-6-7-8-12-15-19-20(17-16-18-13-10-9-11-14-18)26-22-21(25-19)23(29)28(3)24(30)27(22)2/h9-11,13-14H,4-8H2,1-3H3
InChIKey MZRVOGKNPZUDFB-UHFFFAOYSA-N
Mol Weight 400.48 g/mol
Molecular Formula C24H24N4O2
Exact Mass 400.189926 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 9DbIPboIqAp
Name 1,3-Dimethyl-6-(oct-1-ynyl)-7-(phenylethynyl)pteridine-2,4(1H,3H)-dione
Alternate Name(s) 1,3-Dimethyl-6-oct-1-ynyl-7-(2-phenylethynyl)pteridine-2,4-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H24N4O2
InChI InChI=1S/C24H24N4O2/c1-4-5-6-7-8-12-15-19-20(17-16-18-13-10-9-11-14-18)26-22-21(25-19)23(29)28(3)24(30)27(22)2/h9-11,13-14H,4-8H2,1-3H3
InChIKey MZRVOGKNPZUDFB-UHFFFAOYSA-N
Molecular Weight 400.482 g/mol
SMILES c12N(C(N(C(c2nc(C#CCCCCCC)c(C#Cc2ccccc2)n1)=O)C)=O)C
SPLASH splash10-000x-9483000000-0759fcf392fe44c8fa96
Source of Spectrum F-66-150-4b
Wiley ID 1682856