| SpectraBase Compound ID | 7O9P0BsvkD4 |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7+ |
| InChIKey | MBRLTLPMVMFRTJ-BQYQJAHWSA-N |
| Mol Weight | 170.25 g/mol |
| Molecular Formula | C10H18O2 |
| Exact Mass | 170.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3cgE8fFhrQn |
|---|---|
| Name | 2-Octen-1-ol, acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.130679818 u |
| Formula | C10H18O2 |
| InChI | InChI=1S/C10H18O2/c1-3-4-5-6-7-8-9-12-10(2)11/h7-8H,3-6,9H2,1-2H3/b8-7+ |
| InChIKey | MBRLTLPMVMFRTJ-BQYQJAHWSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | C(=O)(OC\C=C\CCCCC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980188 |