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2-[12,15-Dimethoxy-3,5,7,9-tetrathiatricyclo[9.4.0.0(4,8)]pentadecaoctaen-6-ylidene]-4,5-bis(hexylsulfanyl)-1,3-dithiaole

View entire compound with spectra: 1 MS (GC)

2-[12,15-Dimethoxy-3,5,7,9-tetrathiatricyclo[9.4.0.0(4,8)]pentadecaoctaen-6-ylidene]-4,5-bis(hexylsulfanyl)-1,3-dithiaole
SpectraBase Compound ID 8KW6tV1rLyZ
InChI InChI=1S/C28H38O2S8/c1-5-7-9-11-15-31-23-24(32-16-12-10-8-6-2)36-27(35-23)28-37-25-26(38-28)34-18-20-19(17-33-25)21(29-3)13-14-22(20)30-4/h13-14H,5-12,15-18H2,1-4H3
InChIKey MJIHESQRRPNOMJ-UHFFFAOYSA-N
Mol Weight 663.1 g/mol
Molecular Formula C28H38O2S8
Exact Mass 662.06375 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQgU3L9aMMq
Name 2-[12,15-Dimethoxy-3,5,7,9-tetrathiatricyclo[9.4.0.0(4,8)]pentadecaoctaen-6-ylidene]-4,5-bis(hexylsulfanyl)-1,3-dithiaole
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Formula C28H38O2S8
InChI InChI=1S/C28H38O2S8/c1-5-7-9-11-15-31-23-24(32-16-12-10-8-6-2)36-27(35-23)28-37-25-26(38-28)34-18-20-19(17-33-25)21(29-3)13-14-22(20)30-4/h13-14H,5-12,15-18H2,1-4H3
InChIKey MJIHESQRRPNOMJ-UHFFFAOYSA-N
Molecular Weight 663.090 g/mol
SMILES C1(=C2SC(SCCCCCC)=C(S2)SCCCCCC)SC=2SCc3c(ccc(c3CSC2S1)OC)OC
SPLASH splash10-016s-0936001000-b27203b59a08539970c0
Source of Spectrum F-54-2862-16
Synonyms 2-[4,5-bis(hexylsulfanyl)-1,3-dithiol-2-ylidene]-6,9-dimethoxy-5,10-dihydro[1,3]dithiolo[4,5-c][2,5]benzodithiocin
Wiley ID 806362