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1-[(E)-styryl]-4-[6-[4-[(E)-styryl]phenyl]sulfanylhexylsulfanyl]benzene
SpectraBase Compound ID Gp4l4kMBc52
InChI InChI=1S/C34H34S2/c1(9-27-35-33-23-19-31(20-24-33)17-15-29-11-5-3-6-12-29)2-10-28-36-34-25-21-32(22-26-34)18-16-30-13-7-4-8-14-30/h3-8,11-26H,1-2,9-10,27-28H2/b17-15+,18-16+
InChIKey ULUAFVIXDAEAGY-YTEMWHBBSA-N
Mol Weight 506.8 g/mol
Molecular Formula C34H34S2
Exact Mass 506.210193 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5HQ1C05Fkt0
Name 1-[(E)-Styryl]-4-[6-[4-[(E)-styryl]phenyl]sulfanylhexylsulfanyl]benzene
Comments Computed using HOSE algorithm
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Exact Mass 506.210193443 u
Formula C34H34S2
InChI InChI=1S/C34H34S2/c1(9-27-35-33-23-19-31(20-24-33)17-15-29-11-5-3-6-12-29)2-10-28-36-34-25-21-32(22-26-34)18-16-30-13-7-4-8-14-30/h3-8,11-26H,1-2,9-10,27-28H2/b17-15+,18-16+
InChIKey ULUAFVIXDAEAGY-YTEMWHBBSA-N
Molecular Weight 506.766 g/mol
SMILES C(CSC1=CC=C(\C=C\C=2C=CC=CC2)C=C1)CCCCSC1=CC=C(\C=C\C2=CC=CC=C2)C=C1