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1,3,5-Benzenetris(4-methylene-3,5-dithiatricyclo[5.2.1.0(2,6)]decane)
SpectraBase Compound ID AdKWE1SzVZv
InChI InChI=1S/C33H36S6/c1-2-20-13-19(1)28-29(20)35-25(34-28)10-16-7-17(11-26-36-30-21-3-4-22(14-21)31(30)37-26)9-18(8-16)12-27-38-32-23-5-6-24(15-23)33(32)39-27/h7-12,19-24,28-33H,1-6,13-15H2/b25-10-,26-11-,27-12-/t19-,20+,21-,22+,23+,24-,28+,29?,30?,31-,32?,33+/m1/s1
InChIKey HGYBSAUTFFJNPT-VIJADOMBSA-N
Mol Weight 625.0 g/mol
Molecular Formula C33H36S6
Exact Mass 624.114128 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID E55zEfAoCe7
Name 1,3,5-Benzenetris(4-methylene-3,5-dithiatricyclo[5.2.1.0(2,6)]decane)
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C33H36S6
InChI InChI=1S/C33H36S6/c1-2-20-13-19(1)28-29(20)35-25(34-28)10-16-7-17(11-26-36-30-21-3-4-22(14-21)31(30)37-26)9-18(8-16)12-27-38-32-23-5-6-24(15-23)33(32)39-27/h7-12,19-24,28-33H,1-6,13-15H2/b25-10-,26-11-,27-12-/t19-,20+,21-,22+,23+,24-,28+,29?,30?,31-,32?,33+/m1/s1
InChIKey HGYBSAUTFFJNPT-VIJADOMBSA-N
Molecular Weight 625.011 g/mol
SMILES C12S\C(S[C@]1([C@@]1(CC[C@]2(C1)[H])[H])[H])=C\c1cc(\C=C\2SC3[C@@]4(CC[C@]([C@]3(S2)[H])(C4)[H])[H])cc(\C=C\2S[C@]3([C@@]4(CC[C@](C3S2)(C4)[H])[H])[H])c1
SPLASH splash10-006x-0312904000-386bbdc5ea89c93b5c75
Source of Spectrum F-53-10448-9
Synonyms 4-[3,5-bis(3,5-dithiatricyclo[5.2.1.0(2,6)]dec-4-ylidenemethyl)benzylidene]-3,5-dithiatricyclo[5.2.1.0(2,6)]decane
Wiley ID 803191