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bicyclo[1.1.1]pentan-1-yl(3,5-bis(trifluoromethyl)phenyl)sulfane
SpectraBase Compound ID 8PbbQSADrcD
InChI InChI=1S/C13H10F6S/c14-12(15,16)8-1-9(13(17,18)19)3-10(2-8)20-11-4-7(5-11)6-11/h1-3,7H,4-6H2
InChIKey IAAVPEBEKXNFBU-UHFFFAOYSA-N
Mol Weight 312.27 g/mol
Molecular Formula C13H10F6S
Exact Mass 312.04074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 4fqX66IxBiG
Name bicyclo[1.1.1]pentan-1-yl(3,5-bis(trifluoromethyl)phenyl)sulfane
Appearance Yellow oil
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Formula C13H10F6S
InChI InChI=1S/C13H10F6S/c14-12(15,16)8-1-9(13(17,18)19)3-10(2-8)20-11-4-7(5-11)6-11/h1-3,7H,4-6H2
InChIKey IAAVPEBEKXNFBU-UHFFFAOYSA-N
Instrument Name Finnigan MAT 95
Ionization Type EI
Literature Reference DOI 10.1002/adsc.201901453
Molecular Weight 312.273 g/mol
Reported Formula C13H10F6(32)S
SMILES c1(cc(cc(c1)C(F)(F)F)SC12CC(C2)C1)C(F)(F)F
SPLASH splash10-0002-1090000000-bd3487ae4915a5eb7e4b
Source of Spectrum ASC-362-SM7-5h
Wiley ID 1839420