John Wiley & Sons, Inc. SpectraBase; SpectraBase Compound ID=K6CttQZoHL4 SpectraBase Spectrum ID=BFU8FACMGmG

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TTF Meta-6-Acid [4',4,5-Tri(methylthia)-5'-[12-(4-carboxybenzoyl)dodecylthia]tetrathiafulvalene]
SpectraBase Compound ID K6CttQZoHL4
InChI InChI=1S/C28H38O3S8/c1-32-23-24(33-2)37-27(36-23)28-38-25(34-3)26(39-28)35-18-13-11-9-7-5-4-6-8-10-12-17-31-21-16-14-15-20(19-21)22(29)30/h14-16,19H,4-13,17-18H2,1-3H3,(H,29,30)
InChIKey BFBCBGKVRUNJPR-UHFFFAOYSA-N
Mol Weight 679.1 g/mol
Molecular Formula C28H38O3S8
Exact Mass 678.05867 g/mol

Mass Spectrum (MS)

Mass Spectrum (MS)

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SpectraBase Spectrum ID BFU8FACMGmG
Name TTF Meta-6-Acid [4',4,5-Tri(methylthia)-5'-[12-(4-carboxybenzoyl)dodecylthia]tetrathiafulvalene]
Classification Benzoic acids
Copyright Copyright © 2020-2021 John Wiley & Sons, Inc. All Rights Reserved.
Formula C28H38O3S8
InChI InChI=1S/C28H38O3S8/c1-32-23-24(33-2)37-27(36-23)28-38-25(34-3)26(39-28)35-18-13-11-9-7-5-4-6-8-10-12-17-31-21-16-14-15-20(19-21)22(29)30/h14-16,19H,4-13,17-18H2,1-3H3,(H,29,30)
InChIKey BFBCBGKVRUNJPR-UHFFFAOYSA-N
SPLASH splash10-004i-0200009000-d5d8ce3771aeb2f01670
Source of Spectrum F-67-9137-21
SpectraBase Batch ID 1n8pNoWSEzj