| SpectraBase Compound ID | E17Ey4F8chc |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-3-4-5-6-9(7-10)12-8(2)11/h7,9H,3-6H2,1-2H3 |
| InChIKey | WFLFUADTXULQFY-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | FEwwRtKUa2z |
|---|---|
| Name | 1-Formylhexyl acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 172.109944372 u |
| Formula | C9H16O3 |
| InChI | InChI=1S/C9H16O3/c1-3-4-5-6-9(7-10)12-8(2)11/h7,9H,3-6H2,1-2H3 |
| InChIKey | WFLFUADTXULQFY-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(C(CCCCC)OC(=O)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.950961 |