![Cyclooctanol, o-[5-bromo-N-pentyl]-](/api/spectrum/CF4PCsn2Ynn/structure.png?h=300&w=458 "Cyclooctanol, o-[5-bromo-N-pentyl]-")
| SpectraBase Compound ID | 8mMG9LakRQv |
|---|---|
| InChI | InChI=1S/C13H25BrO/c14-11-7-4-8-12-15-13-9-5-2-1-3-6-10-13/h13H,1-12H2 |
| InChIKey | VLAFFSIQENFACJ-UHFFFAOYSA-N |
| Mol Weight | 277.25 g/mol |
| Molecular Formula | C13H25BrO |
| Exact Mass | 276.108878 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CF4PCsn2Ynn |
|---|---|
| Name | Cyclooctanol, o-[5-bromo-N-pentyl]- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 276.108878424 u |
| Formula | C13H25BrO |
| InChI | InChI=1S/C13H25BrO/c14-11-7-4-8-12-15-13-9-5-2-1-3-6-10-13/h13H,1-12H2 |
| InChIKey | VLAFFSIQENFACJ-UHFFFAOYSA-N |
| SMILES | C1C(CCCCCC1)OCCCCCBr |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.927417 |