| SpectraBase Compound ID | 120p1Bt1UwZ |
|---|---|
| InChI | InChI=1S/C7H15Br/c1-6(2)7(3)4-5-8/h6-7H,4-5H2,1-3H3 |
| InChIKey | FPYOHXBSIZXFCZ-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 | HLhdEApdsQ6 |
|---|---|
| Name | Pentane, 1-bromo-3,4-dimethyl- |
| 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/c1-6(2)7(3)4-5-8/h6-7H,4-5H2,1-3H3 |
| InChIKey | FPYOHXBSIZXFCZ-UHFFFAOYSA-N |
| Molecular Weight | 179.101 g/mol |
| SMILES | C(C(C(C)C)C)CBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919129 |