![2-{[2-oxo-2-(1-piperidinyl)ethyl]sulfanyl}-1H-benzimidazole](/api/spectrum/JeXT87Z4dsK/structure.png?h=300&w=458 "2-{[2-oxo-2-(1-piperidinyl)ethyl]sulfanyl}-1H-benzimidazole")
| SpectraBase Compound ID | 97RQO1ANcWB |
|---|---|
| InChI | InChI=1S/C14H17N3OS/c18-13(17-8-4-1-5-9-17)10-19-14-15-11-6-2-3-7-12(11)16-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16) |
| InChIKey | XSXMBPOJUFFANC-UHFFFAOYSA-N |
| Mol Weight | 275.37 g/mol |
| Molecular Formula | C14H17N3OS |
| Exact Mass | 275.109233 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JeXT87Z4dsK |
|---|---|
| Name | 2-{[2-oxo-2-(1-Piperidinyl)ethyl]sulfanyl}-1H-benzimidazole |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 275.109233352 u |
| Formula | C14H17N3OS |
| InChI | InChI=1S/C14H17N3OS/c18-13(17-8-4-1-5-9-17)10-19-14-15-11-6-2-3-7-12(11)16-14/h2-3,6-7H,1,4-5,8-10H2,(H,15,16) |
| InChIKey | XSXMBPOJUFFANC-UHFFFAOYSA-N |
| Molecular Weight | 275.370 g/mol |
| SMILES | N1C=2C=CC=CC2N=C1SCC(N1CCCCC1)=O |