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4-CARBOXY-5-METHYL-4',5'-DIPENTYL-TETRATHIAFULVALENE
SpectraBase Compound ID 5mP1qGp9V6s
InChI InChI=1S/C18H26O2S4/c1-4-6-8-10-13-14(11-9-7-5-2)23-18(22-13)17-21-12(3)15(24-17)16(19)20/h4-11H2,1-3H3,(H,19,20)
InChIKey NYAVHOHJRYEHMH-UHFFFAOYSA-N
Mol Weight 402.6 g/mol
Molecular Formula C18H26O2S4
Exact Mass 402.081565 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1VqSH6Rq0Nl
Name 4-CARBOXY-5-METHYL-4',5'-DIPENTYL-TETRATHIAFULVALENE
Compound Number 5
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C18H26O2S4
InChI InChI=1S/C18H26O2S4/c1-4-6-8-10-13-14(11-9-7-5-2)23-18(22-13)17-21-12(3)15(24-17)16(19)20/h4-11H2,1-3H3,(H,19,20)
InChIKey NYAVHOHJRYEHMH-UHFFFAOYSA-N
Literature Reference Author D.F.PEREPICHKA,M.R.BRYCE,A.S.BATSANOV,J.A.K.HOWARD,A.O.CUELL O,M.GRAY,V.M.ROTELLO
Literature Reference Citation J.ORG.CHEM.,66,4517(2001)
Literature Reference DOI 10.1021/jo001576+
Molecular Weight 402.643 g/mol
Solvent ACETONE-D6
Source File Reference UWMS28026