| 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 |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | D8NOGGKZpZV |
|---|---|
| Name | 1-Benzyl-2-butylthio-4,5-dihydroimidazole |
| Comments | Computed using HOSE algorithm |
| 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 |