| SpectraBase Compound ID | LenpisyHvHr |
|---|---|
| InChI | InChI=1S/C10H21Br/c1-4-9(2)6-5-7-10(3)8-11/h9-10H,4-8H2,1-3H3 |
| InChIKey | ZGAZKCQLHDTJPS-UHFFFAOYSA-N |
| Mol Weight | 221.18 g/mol |
| Molecular Formula | C10H21Br |
| Exact Mass | 220.082664 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | A1kyVW94r8c |
|---|---|
| Name | 1-Bromo-2,6-dimethyloctane |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 220.082663676 u |
| Formula | C10H21Br |
| InChI | InChI=1S/C10H21Br/c1-4-9(2)6-5-7-10(3)8-11/h9-10H,4-8H2,1-3H3 |
| InChIKey | ZGAZKCQLHDTJPS-UHFFFAOYSA-N |
| Molecular Weight | 221.182 g/mol |
| SMILES | C(C(CCCC(CC)C)C)Br |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.93516 |