![Propanenitrile, 3-[3-(1-methyl-1H-1,3-benzimidazol-2-yl)propoxy]-](/api/spectrum/KTugr1tYJU/structure.png?h=300&w=458 "Propanenitrile, 3-[3-(1-methyl-1H-1,3-benzimidazol-2-yl)propoxy]-")
| SpectraBase Compound ID | 3ic137llbad |
|---|---|
| InChI | InChI=1S/C14H17N3O/c1-17-13-7-3-2-6-12(13)16-14(17)8-4-10-18-11-5-9-15/h2-3,6-7H,4-5,8,10-11H2,1H3 |
| InChIKey | HSCNIVUZUYJRQM-UHFFFAOYSA-N |
| Mol Weight | 243.31 g/mol |
| Molecular Formula | C14H17N3O |
| Exact Mass | 243.137162 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | KTugr1tYJU |
|---|---|
| Name | Propanenitrile, 3-[3-(1-methyl-1H-1,3-benzimidazol-2-yl)propoxy]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 243.137162178 u |
| Formula | C14H17N3O |
| InChI | InChI=1S/C14H17N3O/c1-17-13-7-3-2-6-12(13)16-14(17)8-4-10-18-11-5-9-15/h2-3,6-7H,4-5,8,10-11H2,1H3 |
| InChIKey | HSCNIVUZUYJRQM-UHFFFAOYSA-N |
| Molecular Weight | 243.310 g/mol |
| SMILES | C1=CC=2N=C(CCCOCCC#N)N(C2C=C1)C |