| SpectraBase Compound ID | EJn0NKGNinh |
|---|---|
| InChI | InChI=1S/C12H26O2/c1-10(2)6-8-13-12(5)14-9-7-11(3)4/h10-12H,6-9H2,1-5H3 |
| InChIKey | LXKCTPBHCJDSKC-UHFFFAOYSA-N |
| Mol Weight | 202.34 g/mol |
| Molecular Formula | C12H26O2 |
| Exact Mass | 202.19328 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 5SoJswEM8H8 |
|---|---|
| Name | Acetaldehyde diisoamyl acetal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 202.193280075 u |
| Formula | C12H26O2 |
| InChI | InChI=1S/C12H26O2/c1-10(2)6-8-13-12(5)14-9-7-11(3)4/h10-12H,6-9H2,1-5H3 |
| InChIKey | LXKCTPBHCJDSKC-UHFFFAOYSA-N |
| Molecular Weight | 202.338 g/mol |
| SMILES | C(C)(OCCC(C)C)OCCC(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.946634 |