| SpectraBase Compound ID | 5s020vi52yD |
|---|---|
| InChI | InChI=1S/C10H18O2/c1-5-7-10(4,8-6-2)12-9(3)11/h5H,1,6-8H2,2-4H3 |
| InChIKey | LADZINMNUGRSAT-UHFFFAOYSA-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 | H8TSzPeRJNn |
|---|---|
| Name | 4-Methyl-1-hepten-4-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/c1-5-7-10(4,8-6-2)12-9(3)11/h5H,1,6-8H2,2-4H3 |
| InChIKey | LADZINMNUGRSAT-UHFFFAOYSA-N |
| Molecular Weight | 170.252 g/mol |
| SMILES | CCCC(CC=C)(C)OC(=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970959 |