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Pyrazolo[1,5-a]pyrimidine, 2,5-bis(methylthio)-3-phenyl-7-(6-phenyl-1,3,5-hexatrienyl)-
SpectraBase Compound ID I6G61nJ9JLR
InChI InChI=1S/C26H23N3S2/c1-30-23-19-22(18-12-4-3-7-13-20-14-8-5-9-15-20)29-25(27-23)24(26(28-29)31-2)21-16-10-6-11-17-21/h3-19H,1-2H3/b4-3+,13-7+,18-12-
InChIKey OBHPQKFORVYTGD-AMPSNDMLSA-N
Mol Weight 441.61 g/mol
Molecular Formula C26H23N3S2
Exact Mass 441.13334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1d3nYFQzSH
Name Pyrazolo[1,5-a]pyrimidine, 2,5-bis(methylthio)-3-phenyl-7-(6-phenyl-1,3,5-hexatrienyl)-
CAS Registry Number 128039-40-7
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H23N3S2
InChI InChI=1S/C26H23N3S2/c1-30-23-19-22(18-12-4-3-7-13-20-14-8-5-9-15-20)29-25(27-23)24(26(28-29)31-2)21-16-10-6-11-17-21/h3-19H,1-2H3/b4-3+,13-7+,18-12-
InChIKey OBHPQKFORVYTGD-AMPSNDMLSA-N
Molecular Weight 441.611 g/mol
SMILES c12[n](nc(c2-c2ccccc2)SC)C(\C=C/C=C/C=C/c2ccccc2)=CC(=N1)SC
SPLASH splash10-0006-0000900000-2daa09bb87ae629e1221
Source of Spectrum F-46-584-7
Synonyms 2,5-bis(methylsulfanyl)-3-phenyl-7-[(1Z,3E,5E)-6-phenyl-1,3,5-hexatrienyl]pyrazolo[1,5-a]pyrimidine 2,5-bis(methylthio)-3-phenyl-7-(6-phenyl-1,3,5-hexatrienyl)pyrazolo[1,5-a]pyrimidine
Wiley ID 1385099