| SpectraBase Compound ID | GHjUKweEd8z |
|---|---|
| InChI | InChI=1S/C8H16O4/c1-11-8(12-2)6-4-3-5-7(9)10/h8H,3-6H2,1-2H3,(H,9,10) |
| InChIKey | DYGKLHQONXPPKW-UHFFFAOYSA-N |
| Mol Weight | 176.21 g/mol |
| Molecular Formula | C8H16O4 |
| Exact Mass | 176.104859 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9vNpogAX4v6 |
|---|---|
| Name | Dimethoxyhexanoic acid |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 176.104858991 u |
| Formula | C8H16O4 |
| InChI | InChI=1S/C8H16O4/c1-11-8(12-2)6-4-3-5-7(9)10/h8H,3-6H2,1-2H3,(H,9,10) |
| InChIKey | DYGKLHQONXPPKW-UHFFFAOYSA-N |
| Molecular Weight | 176.212 g/mol |
| SMILES | C(=O)(O)CCCCC(OC)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891483 |