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5-[4,5-Bis(pentylmercapto)[1,3]-dithiol-2-ylidene]-4,6-dithia-tetracyclo[7.5.0.0(3,7).1(10,13)]tetradecadiene-2,9-dione
SpectraBase Compound ID 3SZ0RwQTvSx
InChI InChI=1S/C25H30O2S6/c1-3-5-7-11-28-22-23(29-12-8-6-4-2)33-25(32-22)24-30-20-18(26)16-14-9-10-15(13-14)17(16)19(27)21(20)31-24/h9-10,14-17H,3-8,11-13H2,1-2H3
InChIKey YEVCNZXUMLJQIV-UHFFFAOYSA-N
Mol Weight 554.9 g/mol
Molecular Formula C25H30O2S6
Exact Mass 554.057007 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A25ARtPIr15
Name 5-[4,5-Bis(pentylmercapto)[1,3]-dithiol-2-ylidene]-4,6-dithia-tetracyclo[7.5.0.0(3,7).1(10,13)]tetradecadiene-2,9-dione
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C25H30O2S6
InChI InChI=1S/C25H30O2S6/c1-3-5-7-11-28-22-23(29-12-8-6-4-2)33-25(32-22)24-30-20-18(26)16-14-9-10-15(13-14)17(16)19(27)21(20)31-24/h9-10,14-17H,3-8,11-13H2,1-2H3
InChIKey YEVCNZXUMLJQIV-UHFFFAOYSA-N
Molecular Weight 554.873 g/mol
SMILES C12=C(SC(S2)=C2SC(SCCCCC)=C(S2)SCCCCC)C(=O)C2C(C1=O)C1C=CC2C1
SPLASH splash10-0f79-0201790000-937fb9df50a5b4663ba6
Source of Spectrum U1-2009-6349-15a
Wiley ID 1663267