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1-[3,6-Di(propan-2-yl)pyrazin-2-yl]naphthalen-2-yl Trifluoromethanesulfonate
SpectraBase Compound ID 779lNIAZQvz
InChI InChI=1S/C21H21F3N2O3S/c1-12(2)16-11-25-19(13(3)4)20(26-16)18-15-8-6-5-7-14(15)9-10-17(18)29-30(27,28)21(22,23)24/h5-13H,1-4H3
InChIKey BKKYZGKUDOQITJ-UHFFFAOYSA-N
Mol Weight 438.47 g/mol
Molecular Formula C21H21F3N2O3S
Exact Mass 438.122498 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5zkl2qEryYr
Name 1-[3,6-Di(propan-2-yl)pyrazin-2-yl]naphthalen-2-yl Trifluoromethanesulfonate
Appearance Yellow solid
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Formula C21H21F3N2O3S
InChI InChI=1S/C21H21F3N2O3S/c1-12(2)16-11-25-19(13(3)4)20(26-16)18-15-8-6-5-7-14(15)9-10-17(18)29-30(27,28)21(22,23)24/h5-13H,1-4H3
InChIKey BKKYZGKUDOQITJ-UHFFFAOYSA-N
Instrument Name VG 770
Ionization Type EI
Literature Reference DOI 10.1002/hlca.202100205
Molecular Weight 438.465 g/mol
SMILES c1(c(ncc(n1)C(C)C)C(C)C)-c1c(ccc2c1cccc2)OS(C(F)(F)F)(=O)=O
SPLASH splash10-0bt9-5189300000-4170a4d667d77f6a29ce
Source of Spectrum H-105-16-22
Thin-Layer Chromatography Rf = 0.62 (Hexanes/AcOEt, 2: 1)
Wiley ID 1873496