| SpectraBase Compound ID | 7UQKyozXLiA |
|---|---|
| InChI | InChI=1S/C10H21Br/c1-4-5-6-9(2)7-10(3)8-11/h9-10H,4-8H2,1-3H3/t9-,10-/m0/s1 |
| InChIKey | IPVGEKWAWKSNOC-UWVGGRQHSA-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 | 4shcd8mnFbR |
|---|---|
| Name | (2S,4S)-1-Bromo-2,4-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/c1-4-5-6-9(2)7-10(3)8-11/h9-10H,4-8H2,1-3H3/t9-,10-/m0/s1 |
| InChIKey | IPVGEKWAWKSNOC-UWVGGRQHSA-N |
| Molecular Weight | 221.182 g/mol |
| SMILES | C([C@@](CBr)(C)[H])[C@](CCCC)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.95476 |