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(anti / syn)-2,11-Dithia-18-methyl-9-(1'-naphthyl)[3.3]metacyclophane
SpectraBase Compound ID C18rHG15Zhy
InChI InChI=1S/C27H24S2/c1-19-22-8-4-9-23(19)17-29-18-24-14-20(15-28-16-22)12-13-26(24)27-11-5-7-21-6-2-3-10-25(21)27/h2-14H,15-18H2,1H3
InChIKey MGLJMDMSLZZWHF-UHFFFAOYSA-N
Mol Weight 412.61 g/mol
Molecular Formula C27H24S2
Exact Mass 412.131943 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1AAObNU9IMd
Name (anti / syn)-2,11-Dithia-18-methyl-9-(1'-naphthyl)[3.3]metacyclophane
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Formula C27H24S2
InChI InChI=1S/C27H24S2/c1-19-22-8-4-9-23(19)17-29-18-24-14-20(15-28-16-22)12-13-26(24)27-11-5-7-21-6-2-3-10-25(21)27/h2-14H,15-18H2,1H3
InChIKey MGLJMDMSLZZWHF-UHFFFAOYSA-N
Molecular Weight 412.609 g/mol
SMILES c1(-c2c3c(cccc3)ccc2)c2cc(CSCc3cccc(c3C)CSC2)cc1
SPLASH splash10-03fr-0090300000-bd30a60addd19feab07c
Source of Spectrum C-126-914-10b
Wiley ID 1701465