| SpectraBase Compound ID | 6YP0IM3Tq3u |
|---|---|
| InChI | InChI=1S/C8H14O5/c1-11-7(10)5-4-6(9)8(12-2)13-3/h8H,4-5H2,1-3H3 |
| InChIKey | SSDQDQPKCMRNIA-UHFFFAOYSA-N |
| Mol Weight | 190.19 g/mol |
| Molecular Formula | C8H14O5 |
| Exact Mass | 190.084124 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DJoAzq52L1i |
|---|---|
| Name | Methyl 5,5-dimethoxy-4-oxopentanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 190.084123546 u |
| Formula | C8H14O5 |
| InChI | InChI=1S/C8H14O5/c1-11-7(10)5-4-6(9)8(12-2)13-3/h8H,4-5H2,1-3H3 |
| InChIKey | SSDQDQPKCMRNIA-UHFFFAOYSA-N |
| Molecular Weight | 190.195 g/mol |
| SMILES | C(C(OC)OC)(=O)CCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980384 |