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2,7(6)-bis[Methylthio]-3,6(7)-bis]2'-(2"-phthalimidoethoxy)ethylthiol]tetrathiafulvalene
SpectraBase Compound ID 2iuFc4LI1pd
InChI InChI=1S/C32H30N2O6S8/c1-41-27-29(43-17-15-39-13-11-33-23(35)19-7-3-4-8-20(19)24(33)36)47-31(45-27)32-46-28(42-2)30(48-32)44-18-16-40-14-12-34-25(37)21-9-5-6-10-22(21)26(34)38/h3-10H,11-18H2,1-2H3/b32-31+
InChIKey QKCJRIKJCFRFCX-QNEJGDQOSA-N
Mol Weight 795.1 g/mol
Molecular Formula C32H30N2O6S8
Exact Mass 793.986956 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID B3eYJX5jgms
Name 2,7(6)-bis[Methylthio]-3,6(7)-bis]2'-(2"-phthalimidoethoxy)ethylthiol]tetrathiafulvalene
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C32H30N2O6S8
InChI InChI=1S/C32H30N2O6S8/c1-41-27-29(43-17-15-39-13-11-33-23(35)19-7-3-4-8-20(19)24(33)36)47-31(45-27)32-46-28(42-2)30(48-32)44-18-16-40-14-12-34-25(37)21-9-5-6-10-22(21)26(34)38/h3-10H,11-18H2,1-2H3/b32-31+
InChIKey QKCJRIKJCFRFCX-QNEJGDQOSA-N
Molecular Weight 795.080 g/mol
SMILES C1(N(C(c2ccccc12)=O)CCOCCSC=1S\C(=C\2SC(SCCOCCN3C(c4ccccc4C3=O)=O)=C(S2)SC)SC1SC)=O
SPLASH splash10-006y-0400000900-747633ac9649480f2a75
Source of Spectrum K1-2000-2141-14
Wiley ID 750386