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TTF Para-12-Acid [4',4,5-Tri(methylthia)-5'-[10-(4-carboxybenzoyl)decylthia]tetrathiafulvalene]
SpectraBase Compound ID BMZtZd3gXVL
InChI InChI=1S/C26H34O3S8/c1-30-21-22(31-2)35-25(34-21)26-36-23(32-3)24(37-26)33-17-11-9-7-5-4-6-8-10-16-29-19-14-12-18(13-15-19)20(27)28/h12-15H,4-11,16-17H2,1-3H3,(H,27,28)
InChIKey BFTOSRVBLCQOHU-UHFFFAOYSA-N
Mol Weight 651.0 g/mol
Molecular Formula C26H34O3S8
Exact Mass 650.027364 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EsvbnuVdgiw
Name TTF Para-12-Acid [4',4,5-Tri(methylthia)-5'-[10-(4-carboxybenzoyl)decylthia]tetrathiafulvalene]
Alternate Name(s) 4-[10-[[2-[4,5-bis(methylsulfanyl)-1,3-dithiol-2-ylidene]-5-methylsulfanyl-1,3-dithiol-4-yl]sulfanyl]decoxy]benzoic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C26H34O3S8
InChI InChI=1S/C26H34O3S8/c1-30-21-22(31-2)35-25(34-21)26-36-23(32-3)24(37-26)33-17-11-9-7-5-4-6-8-10-16-29-19-14-12-18(13-15-19)20(27)28/h12-15H,4-11,16-17H2,1-3H3,(H,27,28)
InChIKey BFTOSRVBLCQOHU-UHFFFAOYSA-N
Molecular Weight 651.035 g/mol
SMILES OC(c1ccc(OCCCCCCCCCCSC=2SC(=C3SC(SC)=C(S3)SC)SC2SC)cc1)=O
SPLASH splash10-0udr-0511009000-d6f0e0841566be6c6566
Source of Spectrum F-67-9137-13
Wiley ID 1571360