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(3-Methyl-10-phenylphenanthren-9-yl)(phenyl)sulfane
SpectraBase Compound ID 1uW8uTKd5ek
InChI InChI=1S/C27H20S/c1-19-16-17-23-25(18-19)22-14-8-9-15-24(22)27(28-21-12-6-3-7-13-21)26(23)20-10-4-2-5-11-20/h2-18H,1H3
InChIKey PBBOTUDRRNXHAM-UHFFFAOYSA-N
Mol Weight 376.52 g/mol
Molecular Formula C27H20S
Exact Mass 376.128572 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2YhusXDQk6j
Name (3-Methyl-10-phenylphenanthren-9-yl)(phenyl)sulfane
Appearance Yellow solid
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Formula C27H20S
InChI InChI=1S/C27H20S/c1-19-16-17-23-25(18-19)22-14-8-9-15-24(22)27(28-21-12-6-3-7-13-21)26(23)20-10-4-2-5-11-20/h2-18H,1H3
InChIKey PBBOTUDRRNXHAM-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1021/jo302634n
Molecular Weight 376.517 g/mol
Reported Formula C27H20S
SMILES C1=CC2=C(C=C1)C(=C(C1=C2C=C(C=C1)C)C1=CC=CC=C1)SC1=CC=CC=C1
SPLASH splash10-004i-0039000000-807d9123e71d6cd05d08
Source of Spectrum JOC-78-1304-19 (DOI: 10.1021/jo302634n)
Wiley ID 1912202