| SpectraBase Compound ID | II7Bt4NcDKT |
|---|---|
| InChI | InChI=1S/C8H17Br/c1-3-5-6-7-8(9)4-2/h8H,3-7H2,1-2H3 |
| InChIKey | OELHQHILWOIUSL-UHFFFAOYSA-N |
| Mol Weight | 193.13 g/mol |
| Molecular Formula | C8H17Br |
| Exact Mass | 192.051364 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 7xIDBTMNIBn |
|---|---|
| Name | 3-Bromooctane |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 192.051363547 u |
| Formula | C8H17Br |
| InChI | InChI=1S/C8H17Br/c1-3-5-6-7-8(9)4-2/h8H,3-7H2,1-2H3 |
| InChIKey | OELHQHILWOIUSL-UHFFFAOYSA-N |
| Molecular Weight | 193.128 g/mol |
| SMILES | C(C(CC)Br)CCCC |