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4,4''-Methylenebis[4'-methoxythiocarbanilide]

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

4,4''-Methylenebis[4'-methoxythiocarbanilide]
SpectraBase Compound ID zcFYSosHLn
InChI InChI=1S/C29H28N4O2S2/c1-34-26-15-11-24(12-16-26)32-28(36)30-22-7-3-20(4-8-22)19-21-5-9-23(10-6-21)31-29(37)33-25-13-17-27(35-2)18-14-25/h3-18H,19H2,1-2H3,(H2,30,32,36)(H2,31,33,37)
InChIKey DCQAHVMWPXXUNR-UHFFFAOYSA-N
Mol Weight 528.69 g/mol
Molecular Formula C29H28N4O2S2
Exact Mass 528.165369 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID 3mhf8XKqc8n
Name 4,4''-Methylenebis[4'-methoxythiocarbanilide]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 528.165368504 u
Formula C29H28N4O2S2
InChI InChI=1S/C29H28N4O2S2/c1-34-26-15-11-24(12-16-26)32-28(36)30-22-7-3-20(4-8-22)19-21-5-9-23(10-6-21)31-29(37)33-25-13-17-27(35-2)18-14-25/h3-18H,19H2,1-2H3,(H2,30,32,36)(H2,31,33,37)
InChIKey DCQAHVMWPXXUNR-UHFFFAOYSA-N
Molecular Weight 528.689 g/mol
SMILES N(C1=CC=C(C=C1)OC)C(=S)NC=1C=CC(CC=2C=CC(=CC2)NC(=S)NC2=CC=C(C=C2)OC)=CC1
Spectrum/Structure Validation Score (Raman) 0.967949