| SpectraBase Compound ID | AKGmyTrRInm |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-7(9(11)12-3)5-4-6-8(2)10/h7H,4-6H2,1-3H3 |
| InChIKey | HFLTZADIZWIVCK-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | HjYOuG0LXkR |
|---|---|
| Name | 6-oxo-2-Methyl-heptanoic-acid-methylester |
| 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/c1-7(9(11)12-3)5-4-6-8(2)10/h7H,4-6H2,1-3H3 |
| InChIKey | HFLTZADIZWIVCK-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(=O)(C(CCCC(=O)C)C)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.96916 |