For citations & permissions, please see: Citations & Permissions - Wiley Science Solutions*

*Links on SpectraBase are not permalinks.
4-(Benzyloxycarbonyl)-5-methyl-4',5'-dipentyltetrathiafulvalene
SpectraBase Compound ID KCIrnUFzD0M
InChI InChI=1S/C25H32O2S4/c1-4-6-9-15-20-21(16-10-7-5-2)30-25(29-20)24-28-18(3)22(31-24)23(26)27-17-19-13-11-8-12-14-19/h8,11-14H,4-7,9-10,15-17H2,1-3H3
InChIKey YGYPRYIYYRLDQU-UHFFFAOYSA-N
Mol Weight 492.8 g/mol
Molecular Formula C25H32O2S4
Exact Mass 492.128515 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

View the Full Spectrum for FREE!

The full spectrum can only be viewed using a FREE account.

SpectraBase Spectrum ID AkBBD11kFrZ
Name 4-(BENZYLOXYCARBONYL)-5-METHYL-4',5'-DIPENTYL-TETRATHIAFULVALENE
Compound Number 8
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C25H32O2S4
InChI InChI=1S/C25H32O2S4/c1-4-6-9-15-20-21(16-10-7-5-2)30-25(29-20)24-28-18(3)22(31-24)23(26)27-17-19-13-11-8-12-14-19/h8,11-14H,4-7,9-10,15-17H2,1-3H3
InChIKey YGYPRYIYYRLDQU-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 492.768 g/mol
Solvent ACETONE-D6
Source File Reference UWMS28028