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1,1'-(4,4'-Biphenylylene)bis[2-thio-3-m-tolylurea]

View entire compound with spectra: 2 NMR, 1 FTIR, and 1 Raman

1,1'-(4,4'-Biphenylylene)bis[2-thio-3-m-tolylurea]
SpectraBase Compound ID JVPMEo259eB
InChI InChI=1S/C28H26N4S2/c1-19-5-3-7-25(17-19)31-27(33)29-23-13-9-21(10-14-23)22-11-15-24(16-12-22)30-28(34)32-26-8-4-6-20(2)18-26/h3-18H,1-2H3,(H2,29,31,33)(H2,30,32,34)
InChIKey QGFZNHWTSSHGDN-UHFFFAOYSA-N
Mol Weight 482.66 g/mol
Molecular Formula C28H26N4S2
Exact Mass 482.159889 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 9kUCUWLlus7
Name 1,1'-(4,4'-Biphenylylene)bis[2-thio-3-m-tolylurea]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 482.159889201 u
Formula C28H26N4S2
InChI InChI=1S/C28H26N4S2/c1-19-5-3-7-25(17-19)31-27(33)29-23-13-9-21(10-14-23)22-11-15-24(16-12-22)30-28(34)32-26-8-4-6-20(2)18-26/h3-18H,1-2H3,(H2,29,31,33)(H2,30,32,34)
InChIKey QGFZNHWTSSHGDN-UHFFFAOYSA-N
Molecular Weight 482.664 g/mol
SMILES N(C1=CC=CC(=C1)C)C(NC=1C=CC(C=2C=CC(=CC2)NC(NC=2C=C(C=CC2)C)=S)=CC1)=S
Spectrum/Structure Validation Score (Raman) 0.782862