| SpectraBase Compound ID | 7KXmLIngzH3 |
|---|---|
| InChI | InChI=1S/C10H18O3/c1-5-8(11)6-7-10(2,3)9(12)13-4/h5-7H2,1-4H3 |
| InChIKey | HFQVBXCDXGMBCJ-UHFFFAOYSA-N |
| Mol Weight | 186.25 g/mol |
| Molecular Formula | C10H18O3 |
| Exact Mass | 186.125594 g/mol |
Vapor Phase (Gas) Infrared Spectrum
Subscribe to view the full spectrum.
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | EFBybWrhdUp |
|---|---|
| Name | Methyl 2,2-dimethyl-5-oxoheptanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 186.125594437 u |
| Formula | C10H18O3 |
| InChI | InChI=1S/C10H18O3/c1-5-8(11)6-7-10(2,3)9(12)13-4/h5-7H2,1-4H3 |
| InChIKey | HFQVBXCDXGMBCJ-UHFFFAOYSA-N |
| Molecular Weight | 186.251 g/mol |
| SMILES | CCC(=O)CCC(C)(C)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.976993 |