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(7-Methyl-10-phenylphenanthren-9-yl)(phenyl)sulfane
SpectraBase Compound ID 8hNRT3sh6iQ
InChI InChI=1S/C27H20S/c1-19-16-17-23-22-14-8-9-15-24(22)26(20-10-4-2-5-11-20)27(25(23)18-19)28-21-12-6-3-7-13-21/h2-18H,1H3
InChIKey KBGIQMNGDADNOE-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 BnwCGtBiRs8
Name (7-Methyl-10-phenylphenanthren-9-yl)(phenyl)sulfane
Appearance Yellow solid
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Formula C27H20S
InChI InChI=1S/C27H20S/c1-19-16-17-23-22-14-8-9-15-24(22)26(20-10-4-2-5-11-20)27(25(23)18-19)28-21-12-6-3-7-13-21/h2-18H,1H3
InChIKey KBGIQMNGDADNOE-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=C1C)C(=C(C1=C2C=CC=C1)C1=CC=CC=C1)SC1=CC=CC=C1
SPLASH splash10-004i-0039000000-868cf1865ca76ca8a3b5
Source of Spectrum JOC-78-1304-21 (DOI: 10.1021/jo302634n)
Wiley ID 1912204