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6,15-Di-tert-butyl-9,18-dimethoxy-2,11-dithia[3.3]metacyclophane
SpectraBase Compound ID UuPWmztTbh
InChI InChI=1S/C26H36O2S2/c1-25(2,3)21-9-17-13-29-15-19-11-22(26(4,5)6)12-20(24(19)28-8)16-30-14-18(10-21)23(17)27-7/h9-12H,13-16H2,1-8H3
InChIKey OKOKHOGERKPTDO-UHFFFAOYSA-N
Mol Weight 444.7 g/mol
Molecular Formula C26H36O2S2
Exact Mass 444.215673 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID HHWvuReca0c
Name 6,15-Di-tert-butyl-9,18-dimethoxy-2,11-dithia[3.3]metacyclophane
CAS Registry Number 96481-02-6
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H36O2S2
InChI InChI=1S/C26H36O2S2/c1-25(2,3)21-9-17-13-29-15-19-11-22(26(4,5)6)12-20(24(19)28-8)16-30-14-18(10-21)23(17)27-7/h9-12H,13-16H2,1-8H3
InChIKey OKOKHOGERKPTDO-UHFFFAOYSA-N
Molecular Weight 444.692 g/mol
SMILES c12c(c(CSCc3c(c(CSC2)cc(c3)C(C)(C)C)OC)cc(c1)C(C)(C)C)OC
SPLASH splash10-002f-0940300000-836e4aa4b58f0b19d83b
Source of Spectrum J-62-6483-26
Synonyms syn-6,15-di-t-butyl-9,18-dimethoxy-2,11-dithia[3.3]metacyclophane 7,15-ditert-butyl-17,18-dimethoxy-3,11-dithiatricyclo[11.3.1.1(5,9)]octadeca-1(17),5(18),6,8,13,15-hexaene
Wiley ID 1386061