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Pyrazolo[1,5-a]pyrimidine, 2-tert-butyl-5-trifluoromethyl-7-phenylthio-
SpectraBase Compound ID JAADVcTGIIQ
InChI InChI=1S/C17H16F3N3S/c1-16(2,3)12-9-14-21-13(17(18,19)20)10-15(23(14)22-12)24-11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKey CZKHAEFTKLJKNO-UHFFFAOYSA-N
Mol Weight 351.39 g/mol
Molecular Formula C17H16F3N3S
Exact Mass 351.101703 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IUjEXXpfnMd
Name Pyrazolo[1,5-a]pyrimidine, 2-tert-butyl-5-trifluoromethyl-7-phenylthio-
Alternate Name(s) 2-tert-Butyl-7-(phenylthio)-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine 2-tert-Butyl-7-phenylsulfanyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H16F3N3S
InChI InChI=1S/C17H16F3N3S/c1-16(2,3)12-9-14-21-13(17(18,19)20)10-15(23(14)22-12)24-11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKey CZKHAEFTKLJKNO-UHFFFAOYSA-N
Molecular Weight 351.391 g/mol
SMILES c1ccc(SC=2[n]3c(N=C(C2)C(F)(F)F)cc(n3)C(C)(C)C)cc1
SPLASH splash10-0udr-1009000000-37107a207af177d90aa1
Source of Spectrum AD-0-2532-0
Wiley ID 1429796