For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
10-[4,5-Bis(hexylthio)-1,3-dithio-2-ylidene]-9-[5,10-dioxo-[1,3]-dithiol[b]anthracen-2-ylidene)anthracene
SpectraBase Compound ID 9p0XrpMbvZc
InChI InChI=1S/C44H40O2S6/c1-3-5-7-15-23-47-43-44(48-24-16-8-6-4-2)52-42(51-43)38-29-19-11-9-17-27(29)37(28-18-10-12-20-30(28)38)41-49-35-25-33-34(26-36(35)50-41)40(46)32-22-14-13-21-31(32)39(33)45/h9-14,17-22,25-26H,3-8,15-16,23-24H2,1-2H3
InChIKey OHHBPSBBXNSREI-UHFFFAOYSA-N
Mol Weight 793.2 g/mol
Molecular Formula C44H40O2S6
Exact Mass 792.135258 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID 1RFtP2E6Eyb
Name 10-[4,5-Bis(hexylthio)-1,3-dithio-2-ylidene]-9-[5,10-dioxo-[1,3]-dithiol[b]anthracen-2-ylidene)anthracene
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C44H40O2S6
InChI InChI=1S/C44H40O2S6/c1-3-5-7-15-23-47-43-44(48-24-16-8-6-4-2)52-42(51-43)38-29-19-11-9-17-27(29)37(28-18-10-12-20-30(28)38)41-49-35-25-33-34(26-36(35)50-41)40(46)32-22-14-13-21-31(32)39(33)45/h9-14,17-22,25-26H,3-8,15-16,23-24H2,1-2H3
InChIKey OHHBPSBBXNSREI-UHFFFAOYSA-N
Molecular Weight 793.162 g/mol
SMILES C1(=C2c3c(cccc3)C(=C3Sc4cc5C(c6ccccc6C(c5cc4S3)=O)=O)c3c2cccc3)SC(SCCCCCC)=C(S1)SCCCCCC
SPLASH splash10-0f6x-0000050900-6def991cd89f143a8fe4
Source of Spectrum KC-1-518-21
Wiley ID 1577659