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4,4'-(Pentamethylenedioxy)bis[thiobenzamide]

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

4,4'-(Pentamethylenedioxy)bis[thiobenzamide]
SpectraBase Compound ID BIK2uMB2bxN
InChI InChI=1S/C19H22N2O2S2/c20-18(24)14-4-8-16(9-5-14)22-12-2-1-3-13-23-17-10-6-15(7-11-17)19(21)25/h4-11H,1-3,12-13H2,(H2,20,24)(H2,21,25)
InChIKey QEKPYLLVLUKHTQ-UHFFFAOYSA-N
Mol Weight 374.52 g/mol
Molecular Formula C19H22N2O2S2
Exact Mass 374.11227 g/mol

Raman Spectrum

Raman Spectrum

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SpectraBase Spectrum ID ILSfWE2XAiE
Name 4,4'-(Pentamethylenedioxy)bis[thiobenzamide]
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 374.112270302 u
Formula C19H22N2O2S2
InChI InChI=1S/C19H22N2O2S2/c20-18(24)14-4-8-16(9-5-14)22-12-2-1-3-13-23-17-10-6-15(7-11-17)19(21)25/h4-11H,1-3,12-13H2,(H2,20,24)(H2,21,25)
InChIKey QEKPYLLVLUKHTQ-UHFFFAOYSA-N
Molecular Weight 374.517 g/mol
SMILES NC(C=1C=CC(OCCCCCOC=2C=CC(C(=S)N)=CC2)=CC1)=S
Spectrum/Structure Validation Score (Raman) 0.747146