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Phenyl(10-(3-(trifluoromethyl)phenyl)phenanthren-9-yl)sulfane
SpectraBase Compound ID x7FQgQB1up
InChI InChI=1S/C27H17F3S/c28-27(29,30)19-10-8-9-18(17-19)25-23-15-6-4-13-21(23)22-14-5-7-16-24(22)26(25)31-20-11-2-1-3-12-20/h1-17H
InChIKey CWNOWWYWEFRTFD-UHFFFAOYSA-N
Mol Weight 430.49 g/mol
Molecular Formula C27H17F3S
Exact Mass 430.100306 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID H8ApdOZD8aS
Name Phenyl(10-(3-(trifluoromethyl)phenyl)phenanthren-9-yl)sulfane
Appearance Yellow solid
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Exact Mass 430.100306210 u
Formula C27H17F3S
InChI InChI=1S/C27H17F3S/c28-27(29,30)19-10-8-9-18(17-19)25-23-15-6-4-13-21(23)22-14-5-7-16-24(22)26(25)31-20-11-2-1-3-12-20/h1-17H
InChIKey CWNOWWYWEFRTFD-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1021/jo302634n
Molecular Weight 430.488 g/mol
Reported Formula C27H17F3S
SMILES C1=CC2=C(C=C1)C(=C(C1=C2C=CC=C1)C1=CC(=CC=C1)C(F)(F)F)SC1=CC=CC=C1
SPLASH splash10-0kmi-0096100000-9b1f89796f478771e96f
Source of Spectrum JOC-78-1303-15 (DOI: 10.1021/jo302634n)
Wiley ID 1912198