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Pyrido[3,4-b]pyrazine, 2-[[(4-methylphenyl)sulfonyl](phenylthio)methyl]-
SpectraBase Compound ID AQJRpyqvRsC
InChI InChI=1S/C21H17N3O2S2/c1-15-7-9-17(10-8-15)28(25,26)21(27-16-5-3-2-4-6-16)20-14-23-19-13-22-12-11-18(19)24-20/h2-14,21H,1H3
InChIKey AJIGLZRVZNENND-UHFFFAOYSA-N
Mol Weight 407.51 g/mol
Molecular Formula C21H17N3O2S2
Exact Mass 407.076219 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID CMwGfcWs2Pe
Name Pyrido[3,4-b]pyrazine, 2-[[(4-methylphenyl)sulfonyl](phenylthio)methyl]-
CAS Registry Number 115909-71-2
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H17N3O2S2
InChI InChI=1S/C21H17N3O2S2/c1-15-7-9-17(10-8-15)28(25,26)21(27-16-5-3-2-4-6-16)20-14-23-19-13-22-12-11-18(19)24-20/h2-14,21H,1H3
InChIKey AJIGLZRVZNENND-UHFFFAOYSA-N
Molecular Weight 407.506 g/mol
SMILES C(S(c1ccc(cc1)C)(=O)=O)(c1nc2ccncc2nc1)Sc1ccccc1
SPLASH splash10-0uxr-0090000000-da2a753a764a481b2f67
Source of Spectrum F-44-1725-0
Synonyms 2-(Phenylthio)(p-tolylsulfonyl)methylpyrido[3,4-b]pyrazine
Wiley ID 1372541