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1-Benzyl-2-butylthio-4,5-dihydroimidazole

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

1-Benzyl-2-butylthio-4,5-dihydroimidazole
SpectraBase Compound ID 9POGviL3rON
InChI InChI=1S/C14H20N2S/c1-2-3-11-17-14-15-9-10-16(14)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKey RQVAGTXEABMBPV-UHFFFAOYSA-N
Mol Weight 248.39 g/mol
Molecular Formula C14H20N2S
Exact Mass 248.13472 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 1Sp67jubHHo
Name 1-Benzyl-2-butylthio-4,5-dihydroimidazole
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 248.134719826 u
Formula C14H20N2S
InChI InChI=1S/C14H20N2S/c1-2-3-11-17-14-15-9-10-16(14)12-13-7-5-4-6-8-13/h4-8H,2-3,9-12H2,1H3
InChIKey RQVAGTXEABMBPV-UHFFFAOYSA-N
Molecular Weight 248.388 g/mol
SMILES C=1(N(CC=2C=CC=CC2)CCN1)SCCCC
Spectrum/Structure Validation Score (Vapor Phase IR) 0.914351