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2-(2,3,6-Trimethyl-1,4-dithiafulven-6-yl)bianthrone

View entire compound with spectra: 1 MS (GC)

2-(2,3,6-Trimethyl-1,4-dithiafulven-6-yl)bianthrone
SpectraBase Compound ID 6ijGbp8cZMz
InChI InChI=1S/C35H24O2S2/c1-19(35-38-20(2)21(3)39-35)22-16-17-29-30(18-22)32(25-12-6-9-15-28(25)34(29)37)31-23-10-4-7-13-26(23)33(36)27-14-8-5-11-24(27)31/h4-18H,1-3H3
InChIKey SAGRJLCHORXYJY-UHFFFAOYSA-N
Mol Weight 542.7 g/mol
Molecular Formula C35H26O2S2
Exact Mass 542.137422 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2hww2kzyC0l
Name 2-(2,3,6-Trimethyl-1,4-dithiafulven-6-yl)bianthrone
Alternate Name(s) 3-[1-(4,5-dimethyl-2H-1,3-dithiol-2-ylidene)ethyl]-10-(10-oxo-9,10-dihydroanthracen-9-ylidene)-9,10-dihydroanthracen-9-one
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H24O2S2
InChI InChI=1S/C35H24O2S2/c1-19(35-38-20(2)21(3)39-35)22-16-17-29-30(18-22)32(25-12-6-9-15-28(25)34(29)37)31-23-10-4-7-13-26(23)33(36)27-14-8-5-11-24(27)31/h4-18H,1-3H3
InChIKey SAGRJLCHORXYJY-UHFFFAOYSA-N
Molecular Weight 542.711 g/mol
SMILES S1=C(C(=SC1=C(c1cc2C(=C3c4c(cccc4)C(c4c3cccc4)=O)c3c(C(=O)c2cc1)cccc3)C)C)C
SPLASH splash10-0006-0002090000-8b0091f0910a4f55766c
Source of Spectrum J-58-2790-3
Wiley ID 1404694