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19,20,21-Trithiatetracyclo[14.2.1.1(3,6).1(9,12)]henicosa-4,6,10,12,16,18-hexaene ([2.2.2](2,5)thiophenophane, SSS-trimer)

View entire compound with spectra: 2 MS (GC)

19,20,21-Trithiatetracyclo[14.2.1.1(3,6).1(9,12)]henicosa-4,6,10,12,16,18-hexaene ([2.2.2](2,5)thiophenophane, SSS-trimer)
SpectraBase Compound ID FPeSC9BTDri
InChI InChI=1S/C18H18S3/c1-2-14-9-10-16-5-6-18(21-16)12-11-17-4-3-15(20-17)8-7-13(1)19-14/h1-6H,7-12H2
InChIKey ZIWXCGMVOGUYLE-UHFFFAOYSA-N
Mol Weight 330.52 g/mol
Molecular Formula C18H18S3
Exact Mass 330.057064 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2KJLscF40wC
Name 19,20,21-Trithiatetracyclo[14.2.1.1(3,6).1(9,12)]henicosa-4,6,10,12,16,18-hexaene ([2.2.2](2,5)thiophenophane, SSS-trimer)
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Formula C18H18S3
InChI InChI=1S/C18H18S3/c1-2-14-9-10-16-5-6-18(21-16)12-11-17-4-3-15(20-17)8-7-13(1)19-14/h1-6H,7-12H2
InChIKey ZIWXCGMVOGUYLE-UHFFFAOYSA-N
Molecular Weight 330.522 g/mol
SMILES c12sc(cc2)CCc2sc(CCc3sc(CC1)cc3)cc2
SPLASH splash10-03di-1901000000-5cf2f52bafdd3b983851
Source of Spectrum J-62-8985-7
Synonyms 19,20,21-trithiatetracyclo[14.2.1.1(3,6).1(9,12)]henicosa-1(18),4,6,10,12,16-hexaene
Wiley ID 1327816