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9,11,13,18,20,22-Hexamethyl-1,7-dioxa-15,24-dithia[7.3.3]-(1,3,5)-cyclophane
SpectraBase Compound ID KwsovtL6a6Z
InChI InChI=1S/C27H36O2S2/c1-16-22-12-30-14-24-17(2)25-15-31-13-23(16)19(4)26(18(22)3)28-10-8-7-9-11-29-27(20(24)5)21(25)6/h7-15H2,1-6H3
InChIKey NTESSVCWUOMAPK-UHFFFAOYSA-N
Mol Weight 456.7 g/mol
Molecular Formula C27H36O2S2
Exact Mass 456.215673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7ETUaR827Lp
Name 9,11,13,18,20,22-Hexamethyl-1,7-dioxa-15,24-dithia[7.3.3]-(1,3,5)-cyclophane
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Formula C27H36O2S2
InChI InChI=1S/C27H36O2S2/c1-16-22-12-30-14-24-17(2)25-15-31-13-23(16)19(4)26(18(22)3)28-10-8-7-9-11-29-27(20(24)5)21(25)6/h7-15H2,1-6H3
InChIKey NTESSVCWUOMAPK-UHFFFAOYSA-N
Molecular Weight 456.703 g/mol
SMILES c12c(c3CSCc4c(C)c(OCCCCCO2)c(c(CSCc(c1C)c3C)c4C)C)C
SPLASH splash10-0cdl-3910700000-e854f85cd7f80ffdb2b6
Source of Spectrum K1-2002-248-16
Synonyms 2,12,14,20,24,25-hexamethyl-4,10-dioxa-17,22-dithiatetracyclo[11.7.3.1(3,19).1(11,15)]pentacosa-1,3(24),11(25),12,14,19-hexaene
Wiley ID 1521945