| SpectraBase Compound ID | JsC299pgIu |
|---|---|
| InChI | InChI=1S/C14H13BrN2OS/c15-12-4-1-3-11(7-12)9-19-10-14(18)17-13-5-2-6-16-8-13/h1-8H,9-10H2,(H,17,18) |
| InChIKey | DBMCOEMIBKUMNC-UHFFFAOYSA-N |
| Mol Weight | 337.24 g/mol |
| Molecular Formula | C14H13BrN2OS |
| Exact Mass | 335.993197 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 3i9rojgBenj |
|---|---|
| Name | Acetamide, 2-(3-bromobenzylthio)-N-(3-pyridyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 335.993197220 u |
| Formula | C14H13BrN2OS |
| InChI | InChI=1S/C14H13BrN2OS/c15-12-4-1-3-11(7-12)9-19-10-14(18)17-13-5-2-6-16-8-13/h1-8H,9-10H2,(H,17,18) |
| InChIKey | DBMCOEMIBKUMNC-UHFFFAOYSA-N |
| Molecular Weight | 337.235 g/mol |
| SMILES | C(NC=1C=NC=CC1)(=O)CSCC=1C=CC=C(C1)Br |