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4-(4-Decyloxy-benzoyoxymethyl)tetrathiafulvalene
SpectraBase Compound ID F79kyI9Qy58
InChI InChI=1S/C24H30O3S4/c1-2-3-4-5-6-7-8-9-14-26-20-12-10-19(11-13-20)22(25)27-17-21-18-30-24(31-21)23-28-15-16-29-23/h10-13,15-16,18H,2-9,14,17H2,1H3
InChIKey KJJFHJCUFFLHHC-UHFFFAOYSA-N
Mol Weight 494.7 g/mol
Molecular Formula C24H30O3S4
Exact Mass 494.10778 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID LAVwq07IiZV
Name 4-(4-Decyloxy-benzoyoxymethyl)tetrathiafulvalene
Alternate Name(s) 4-(4-(Decyloxy)benzoyloxymethyl)tetrathiafulvalene 4-(decyloxy)phenyl 2-[2-(2H-1,3-dithiol-2-ylidene)-2H-1,3-dithiol-4-yl]acetate
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Formula C24H30O3S4
InChI InChI=1S/C24H30O3S4/c1-2-3-4-5-6-7-8-9-14-26-20-12-10-19(11-13-20)22(25)27-17-21-18-30-24(31-21)23-28-15-16-29-23/h10-13,15-16,18H,2-9,14,17H2,1H3
InChIKey KJJFHJCUFFLHHC-UHFFFAOYSA-N
Molecular Weight 494.741 g/mol
SMILES C1(=C2SC=CS2)SC(COC(c2ccc(OCCCCCCCCCC)cc2)=O)=CS1
SPLASH splash10-0007-0210900000-dd953239d6a112636756
Source of Spectrum F-54-3905-3
Wiley ID 806615