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2-Benzoxy-5-[bis(phenylthio)methyl]-1,3-dimethoxy-benzene

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2-Benzoxy-5-[bis(phenylthio)methyl]-1,3-dimethoxy-benzene
SpectraBase Compound ID BgH6miymb4g
InChI InChI=1S/C28H26O3S2/c1-29-25-18-22(19-26(30-2)27(25)31-20-21-12-6-3-7-13-21)28(32-23-14-8-4-9-15-23)33-24-16-10-5-11-17-24/h3-19,28H,20H2,1-2H3
InChIKey SIXPKSHHDBTYDT-UHFFFAOYSA-N
Mol Weight 474.63 g/mol
Molecular Formula C28H26O3S2
Exact Mass 474.132337 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1AUkGHstaXu
Name 2-Benzoxy-5-[bis(phenylthio)methyl]-1,3-dimethoxy-benzene
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 474.132337042 u
Formula C28H26O3S2
InChI InChI=1S/C28H26O3S2/c1-29-25-18-22(19-26(30-2)27(25)31-20-21-12-6-3-7-13-21)28(32-23-14-8-4-9-15-23)33-24-16-10-5-11-17-24/h3-19,28H,20H2,1-2H3
InChIKey SIXPKSHHDBTYDT-UHFFFAOYSA-N
Molecular Weight 474.633 g/mol
SMILES C1(=C(C=C(C(SC2=CC=CC=C2)SC=2C=CC=CC2)C=C1OC)OC)OCC=1C=CC=CC1