| SpectraBase Compound ID | 5US5St5pIM9 |
|---|---|
| InChI | InChI=1S/C13H13Br/c1-2-6-10-9-13(14)12-8-5-3-4-7-11(10)12/h3-5,7-9H,2,6H2,1H3 |
| InChIKey | KHWXUQKSKSOYDI-UHFFFAOYSA-N |
| Mol Weight | 249.15 g/mol |
| Molecular Formula | C13H13Br |
| Exact Mass | 248.020063 g/mol |
Mass Spectrum (GC)
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| SpectraBase Spectrum ID | A7iBj6iDIXf |
|---|---|
| Name | 1-Bromo-3-propylazulene |
| Alternate Name(s) | 1-Bromanyl-3-propyl-azulene |
| Copyright | Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula | C13H13Br |
| InChI | InChI=1S/C13H13Br/c1-2-6-10-9-13(14)12-8-5-3-4-7-11(10)12/h3-5,7-9H,2,6H2,1H3 |
| InChIKey | KHWXUQKSKSOYDI-UHFFFAOYSA-N |
| Molecular Weight | 249.151 g/mol |
| SMILES | c1(cc(c2cccccc12)CCC)Br |
| SPLASH | splash10-00xr-0190000000-6cddca2e70474f022f3a |
| Source of Spectrum | MZ-34-4282-11 |
| Wiley ID | 1582798 |