| SpectraBase Compound ID | H3CD2u1c7A2 |
|---|---|
| InChI | InChI=1S/C13H13BrN2S/c14-11-5-3-10(4-6-11)12-9-17-13(15-12)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2 |
| InChIKey | IRARKVLHMVETPL-UHFFFAOYSA-N |
| Mol Weight | 309.23 g/mol |
| Molecular Formula | C13H13BrN2S |
| Exact Mass | 307.998283 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | FL1PPl4WYtN |
|---|---|
| Name | Thiazole, 4-(4-bromophenyl)-2-(1-pyrrolidinyl)- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 307.998282601 u |
| Formula | C13H13BrN2S |
| InChI | InChI=1S/C13H13BrN2S/c14-11-5-3-10(4-6-11)12-9-17-13(15-12)16-7-1-2-8-16/h3-6,9H,1-2,7-8H2 |
| InChIKey | IRARKVLHMVETPL-UHFFFAOYSA-N |
| Molecular Weight | 309.225 g/mol |
| SMILES | C1(=NC(C2=CC=C(C=C2)Br)=CS1)N1CCCC1 |