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4-Chloranyl-6-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazole-2-thione

View entire compound with spectra: 1 FTIR, and 1 MS (GC)

4-Chloranyl-6-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazole-2-thione
SpectraBase Compound ID 2uGAC36D59t
InChI InChI=1S/C15H22ClN3S/c1-3-6-19(7-4-2)8-5-11-9-12(16)14-13(10-11)17-15(20)18-14/h9-10H,3-8H2,1-2H3,(H2,17,18,20)
InChIKey ZUBRCEMUCUPQMX-UHFFFAOYSA-N
Mol Weight 311.87 g/mol
Molecular Formula C15H22ClN3S
Exact Mass 311.122297 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 38EihPvGiej
Name 4-Chloranyl-6-[2-(dipropylamino)ethyl]-1,3-dihydrobenzimidazole-2-thione
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 311.122296594 u
Formula C15H22ClN3S
InChI InChI=1S/C15H22ClN3S/c1-3-6-19(7-4-2)8-5-11-9-12(16)14-13(10-11)17-15(20)18-14/h9-10H,3-8H2,1-2H3,(H2,17,18,20)
InChIKey ZUBRCEMUCUPQMX-UHFFFAOYSA-N
Molecular Weight 311.875 g/mol
SMILES C=12C(NC(N2)=S)=CC(=CC1Cl)CCN(CCC)CCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.853129