| SpectraBase Compound ID | 1cubx0eARHA |
|---|---|
| InChI | InChI=1S/C11H12BrNS/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2 |
| InChIKey | NHCXKWVIRCQOAW-UHFFFAOYSA-N |
| Mol Weight | 270.19 g/mol |
| Molecular Formula | C11H12BrNS |
| Exact Mass | 268.987384 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | KnCDj0UWBZi |
|---|---|
| Name | (4-Bromo-phenyl)-pyrrolidin-1-yl-methanethione |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 268.987383564 u |
| Formula | C11H12BrNS |
| InChI | InChI=1S/C11H12BrNS/c12-10-5-3-9(4-6-10)11(14)13-7-1-2-8-13/h3-6H,1-2,7-8H2 |
| InChIKey | NHCXKWVIRCQOAW-UHFFFAOYSA-N |
| SMILES | C(N1CCCC1)(C1=CC=C(C=C1)Br)=S |