| SpectraBase Compound ID | Ca5k4GZ9Gl1 |
|---|---|
| InChI | InChI=1S/C12H25BrO/c1-2-3-6-9-12(14)10-7-4-5-8-11-13/h12,14H,2-11H2,1H3/t12-/m1/s1 |
| InChIKey | QKOIIFZVPGZWPI-GFCCVEGCSA-N |
| Mol Weight | 265.23 g/mol |
| Molecular Formula | C12H25BrO |
| Exact Mass | 264.108878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CFYX52s0Yff |
|---|---|
| Name | (R)-1-Bromo-7-dodecanol |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 264.108878424 u |
| Formula | C12H25BrO |
| InChI | InChI=1S/C12H25BrO/c1-2-3-6-9-12(14)10-7-4-5-8-11-13/h12,14H,2-11H2,1H3/t12-/m1/s1 |
| InChIKey | QKOIIFZVPGZWPI-GFCCVEGCSA-N |
| Molecular Weight | 265.235 g/mol |
| SMILES | C(Br)CCCCC[C@](O)(CCCCC)[H] |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.854312 |