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4-Phenylthio-13-(4,4-dimethyloxazolin-2-yl)[2,2]paracyclophane
SpectraBase Compound ID IQvUvepHg1
InChI InChI=1S/C27H27NOS/c1-27(2)18-29-26(28-27)24-16-19-8-9-20-11-13-22(15-14-21(24)12-10-19)25(17-20)30-23-6-4-3-5-7-23/h3-7,10-13,16-17H,8-9,14-15,18H2,1-2H3
InChIKey UHADJEVMUVDTJG-UHFFFAOYSA-N
Mol Weight 413.58 g/mol
Molecular Formula C27H27NOS
Exact Mass 413.181336 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6HdaFY9bue
Name 4-Phenylthio-13-(4,4-dimethyloxazolin-2-yl)[2,2]paracyclophane
Comments Less than 3 mono-isotopic peaks
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Formula C27H27NOS
InChI InChI=1S/C27H27NOS/c1-27(2)18-29-26(28-27)24-16-19-8-9-20-11-13-22(15-14-21(24)12-10-19)25(17-20)30-23-6-4-3-5-7-23/h3-7,10-13,16-17H,8-9,14-15,18H2,1-2H3
InChIKey UHADJEVMUVDTJG-UHFFFAOYSA-N
Molecular Weight 413.579 g/mol
SMILES C1(=NC(C)(C)CO1)c1c2CCc3c(Sc4ccccc4)cc(CCc(c1)cc2)cc3
SPLASH splash10-0udi-0090200000-df643ce735f9109d8b12
Source of Spectrum F-56-7337-18
Wiley ID 858391