| SpectraBase Compound ID | 4cy5k7dvJFx |
|---|---|
| InChI | InChI=1S/C7H15Br/c1-3-5-6-7(8)4-2/h7H,3-6H2,1-2H3 |
| InChIKey | MLHXKYLLJRLHGH-UHFFFAOYSA-N |
| Mol Weight | 179.1 g/mol |
| Molecular Formula | C7H15Br |
| Exact Mass | 178.035713 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CkZs4Q6YlRp |
|---|---|
| Name | Heptane, 3-bromo- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.035713483 u |
| Formula | C7H15Br |
| InChI | InChI=1S/C7H15Br/c1-3-5-6-7(8)4-2/h7H,3-6H2,1-2H3 |
| InChIKey | MLHXKYLLJRLHGH-UHFFFAOYSA-N |
| Molecular Weight | 179.101 g/mol |
| SMILES | C(C(CC)Br)CCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.867547 |