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(10-(4-Chlorophenyl)phenanthren-9-yl)(phenyl)sulfane
SpectraBase Compound ID EAj2sil7L77
InChI InChI=1S/C26H17ClS/c27-19-16-14-18(15-17-19)25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26(25)28-20-8-2-1-3-9-20/h1-17H
InChIKey VCCSXANKCWLDSF-UHFFFAOYSA-N
Mol Weight 396.94 g/mol
Molecular Formula C26H17ClS
Exact Mass 396.073949 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Kzcj47MncGu
Name (10-(4-Chlorophenyl)phenanthren-9-yl)(phenyl)sulfane
Appearance Yellow solid
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Exact Mass 396.073949421 u
Formula C26H17ClS
InChI InChI=1S/C26H17ClS/c27-19-16-14-18(15-17-19)25-23-12-6-4-10-21(23)22-11-5-7-13-24(22)26(25)28-20-8-2-1-3-9-20/h1-17H
InChIKey VCCSXANKCWLDSF-UHFFFAOYSA-N
Instrument Name LRMS
Ionization Type EI
Literature Reference DOI 10.1021/jo302634n
Molecular Weight 396.935 g/mol
Reported Formula C26H17ClS
SMILES C1=CC2=C(C=C1)C(=C(C1=C2C=CC=C1)C1=CC=C(C=C1)Cl)SC1=CC=CC=C1
SPLASH splash10-0002-0029000000-3aee7989d237d2e2b8db
Source of Spectrum JOC-78-1303-14 (DOI: 10.1021/jo302634n)
Wiley ID 1912197