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2,3-Bis(pentylsulfanyl)-6,7-[3,6-bis(tert-butyldiphenylsilyloxy)benzo]tetrathiafulvalene

View entire compound with spectra: 1 NMR, and 1 MS (GC)

2,3-Bis(pentylsulfanyl)-6,7-[3,6-bis(tert-butyldiphenylsilyloxy)benzo]tetrathiafulvalene
SpectraBase Compound ID 24tqX3eB3Xg
InChI InChI=1S/C52H62O2S6Si2/c1-9-11-25-37-55-47-48(56-38-26-12-10-2)60-50(59-47)49-57-45-43(53-61(51(3,4)5,39-27-17-13-18-28-39)40-29-19-14-20-30-40)35-36-44(46(45)58-49)54-62(52(6,7)8,41-31-21-15-22-32-41)42-33-23-16-24-34-42/h13-24,27-36H,9-12,25-26,37-38H2,1-8H3
InChIKey MBTMMKNQXQUOQA-UHFFFAOYSA-N
Mol Weight 967.6 g/mol
Molecular Formula C52H62O2S6Si2
Exact Mass 966.261261 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID DuaEyx2dIU2
Name 2,3-bis(Pentylsulfanyl)-6,7-[3,6-bis(tert-butyldiphenylsilyloxy)benzo]tetrathiafulvalene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 966.261261348 u
Formula C52H62O2S6Si2
InChI InChI=1S/C52H62O2S6Si2/c1-9-11-25-37-55-47-48(56-38-26-12-10-2)60-50(59-47)49-57-45-43(53-61(51(3,4)5,39-27-17-13-18-28-39)40-29-19-14-20-30-40)35-36-44(46(45)58-49)54-62(52(6,7)8,41-31-21-15-22-32-41)42-33-23-16-24-34-42/h13-24,27-36H,9-12,25-26,37-38H2,1-8H3
InChIKey MBTMMKNQXQUOQA-UHFFFAOYSA-N
Molecular Weight 967.596 g/mol
SMILES C1(=C2SC(SCCCCC)=C(S2)SCCCCC)SC=2C(O[Si](C(C)(C)C)(C3=CC=CC=C3)C3=CC=CC=C3)=CC=C(C2S1)O[Si](C(C)(C)C)(C1=CC=CC=C1)C1=CC=CC=C1