| SpectraBase Compound ID | 1hMEOaB3XHP |
|---|---|
| InChI | InChI=1S/C10H21BrO/c1-10(12)8-6-4-2-3-5-7-9-11/h10,12H,2-9H2,1H3/t10-/m0/s1 |
| InChIKey | KRBQJKLKWQOLLY-JTQLQIEISA-N |
| Mol Weight | 237.18 g/mol |
| Molecular Formula | C10H21BrO |
| Exact Mass | 236.077578 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4vANAHNt468 |
|---|---|
| Name | (2S)-10-Bromo-2-decanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 236.077578295 u |
| Formula | C10H21BrO |
| InChI | InChI=1S/C10H21BrO/c1-10(12)8-6-4-2-3-5-7-9-11/h10,12H,2-9H2,1H3/t10-/m0/s1 |
| InChIKey | KRBQJKLKWQOLLY-JTQLQIEISA-N |
| Molecular Weight | 237.181 g/mol |
| SMILES | C(Br)CCCCCCC[C@@](O)(C)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.892046 |