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2,3,4,5-Tetrakis(4-tert-butylstyryl)thiophene
SpectraBase Compound ID DfW80BGOrTG
InChI InChI=1S/C52H60S/c1-49(2,3)41-25-13-37(14-26-41)21-33-45-46(34-22-38-15-27-42(28-16-38)50(4,5)6)48(36-24-40-19-31-44(32-20-40)52(10,11)12)53-47(45)35-23-39-17-29-43(30-18-39)51(7,8)9/h13-36H,1-12H3/b33-21+,34-22+,35-23+,36-24+
InChIKey VFGMNLZKGKMVBH-KZFAHMCXSA-N
Mol Weight 717.1 g/mol
Molecular Formula C52H60S
Exact Mass 716.441573 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 2TRM55CLlrX
Name 2,3,4,5-Tetrakis(4-tert-butylstyryl)thiophene
Alternate Name(s) 2,3,4,5-tetrakis((E)-4-(tert-butyl)styryl)thiophene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C52H60S
InChI InChI=1S/C52H60S/c1-49(2,3)41-25-13-37(14-26-41)21-33-45-46(34-22-38-15-27-42(28-16-38)50(4,5)6)48(36-24-40-19-31-44(32-20-40)52(10,11)12)53-47(45)35-23-39-17-29-43(30-18-39)51(7,8)9/h13-36H,1-12H3/b33-21+,34-22+,35-23+,36-24+
InChIKey VFGMNLZKGKMVBH-KZFAHMCXSA-N
Literature Reference DOI 10.1002/adsc.201200057
Molecular Weight 717.112 g/mol
SMILES c1(sc(c(c1\C=C\c1ccc(C(C)(C)C)cc1)\C=C\c1ccc(cc1)C(C)(C)C)\C=C\c1ccc(cc1)C(C)(C)C)\C=C\c1ccc(C(C)(C)C)cc1
SPLASH splash10-014i-2000000900-6bc5cebf45633150de3c
Source of Spectrum ASC-354-1819/SM6-3h
Wiley ID 1763128