| SpectraBase Compound ID | JWVqNGp4EIK |
|---|---|
| InChI | InChI=1S/C11H10BrNS/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2 |
| InChIKey | NYCGNOALCHEVCQ-UHFFFAOYSA-N |
| Mol Weight | 268.17 g/mol |
| Molecular Formula | C11H10BrNS |
| Exact Mass | 266.971734 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | gS8bzFJYMo |
|---|---|
| Name | 4-Bromo-N-(thiophen-2-ylmethyl)aniline |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 266.971733500 u |
| Formula | C11H10BrNS |
| InChI | InChI=1S/C11H10BrNS/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h1-7,13H,8H2 |
| InChIKey | NYCGNOALCHEVCQ-UHFFFAOYSA-N |
| Molecular Weight | 268.172 g/mol |
| SMILES | C=1(SC=CC1)CNC1=CC=C(C=C1)Br |