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1,3-Dimethyl-6,7-bis(p-tolylethynyl)pteridine-2,4(1H,3H)-dione

View entire compound with spectra: 1 MS (GC)

1,3-Dimethyl-6,7-bis(p-tolylethynyl)pteridine-2,4(1H,3H)-dione
SpectraBase Compound ID L9Wul2wmmjE
InChI InChI=1S/C26H20N4O2/c1-17-5-9-19(10-6-17)13-15-21-22(16-14-20-11-7-18(2)8-12-20)28-24-23(27-21)25(31)30(4)26(32)29(24)3/h5-12H,1-4H3
InChIKey DMKLQSHJBQQIOX-UHFFFAOYSA-N
Mol Weight 420.47 g/mol
Molecular Formula C26H20N4O2
Exact Mass 420.158626 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 27IqPo2egM1
Name 1,3-Dimethyl-6,7-bis(p-tolylethynyl)pteridine-2,4(1H,3H)-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H20N4O2
InChI InChI=1S/C26H20N4O2/c1-17-5-9-19(10-6-17)13-15-21-22(16-14-20-11-7-18(2)8-12-20)28-24-23(27-21)25(31)30(4)26(32)29(24)3/h5-12H,1-4H3
InChIKey DMKLQSHJBQQIOX-UHFFFAOYSA-N
Molecular Weight 420.472 g/mol
SMILES c12N(C(N(C(c2nc(C#Cc2ccc(cc2)C)c(C#Cc2ccc(cc2)C)n1)=O)C)=O)C
SPLASH splash10-0089-0190700000-fb133c1b1f15a462e62a
Source of Spectrum F-68-494-4
Wiley ID 1707531