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6-butyl-7-methyl-2,5-bis(methylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
SpectraBase Compound ID 6QjJjOcq5GU
InChI InChI=1S/C19H23N3S2/c1-5-6-12-15-13(2)22-17(20-18(15)23-3)16(19(21-22)24-4)14-10-8-7-9-11-14/h7-11H,5-6,12H2,1-4H3
InChIKey RKRPQJKGWKJYLU-UHFFFAOYSA-N
Mol Weight 357.53 g/mol
Molecular Formula C19H23N3S2
Exact Mass 357.13334 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 864sNF6StP6
Name 6-butyl-7-methyl-2,5-bis(methylsulfanyl)-3-phenyl-pyrazolo[1,5-a]pyrimidine
CAS Registry Number 128039-47-4
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23N3S2
InChI InChI=1S/C19H23N3S2/c1-5-6-12-15-13(2)22-17(20-18(15)23-3)16(19(21-22)24-4)14-10-8-7-9-11-14/h7-11H,5-6,12H2,1-4H3
InChIKey RKRPQJKGWKJYLU-UHFFFAOYSA-N
Molecular Weight 357.534 g/mol
SMILES c12[n](nc(c2-c2ccccc2)SC)C(C)=C(C(=N1)SC)CCCC
SPLASH splash10-0a4i-0009000000-6f65ea4fdf2233e98250
Source of Spectrum F-46-583-3
Synonyms 6-butyl-7-methyl-2,5-bis(methylthio)-3-phenyl-pyrazolo[1,5-a]pyrimidine 6-butyl-7-methyl-2,5-bis(methylthio)-3-phenylpyrazolo[1,5-a]pyrimidine
Wiley ID 1346443