| SpectraBase Compound ID | 9FgBOnPIfyC |
|---|---|
| InChI | InChI=1S/C17H16N2OS/c1-12-7-9-14(10-8-12)11-21-17-18-15-5-3-4-6-16(15)19(17)13(2)20/h3-10H,11H2,1-2H3 |
| InChIKey | DCBIOVPCQFPVEC-UHFFFAOYSA-N |
| Mol Weight | 296.39 g/mol |
| Molecular Formula | C17H16N2OS |
| Exact Mass | 296.098334 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | I51IPMVbv2L |
|---|---|
| Name | 1H-Benzimidazol-2-yl 4-methylbenzyl sulfide, acetate |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 296.098334316 u |
| Formula | C17H16N2OS |
| InChI | InChI=1S/C17H16N2OS/c1-12-7-9-14(10-8-12)11-21-17-18-15-5-3-4-6-16(15)19(17)13(2)20/h3-10H,11H2,1-2H3 |
| InChIKey | DCBIOVPCQFPVEC-UHFFFAOYSA-N |
| Molecular Weight | 296.388 g/mol |
| SMILES | C(SC=1N(C2=C(N1)C=CC=C2)C(=O)C)C1=CC=C(C=C1)C |