| SpectraBase Compound ID | AY4zS3a4wVF |
|---|---|
| InChI | InChI=1S/C9H16O3/c1-12-9(11)7-5-3-2-4-6-8-10/h8H,2-7H2,1H3 |
| InChIKey | HVAXGLYKECRETN-UHFFFAOYSA-N |
| Mol Weight | 172.22 g/mol |
| Molecular Formula | C9H16O3 |
| Exact Mass | 172.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | DtNSfPlINoT |
|---|---|
| Name | Methyl 8-oxooctanoate |
| 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/c1-12-9(11)7-5-3-2-4-6-8-10/h8H,2-7H2,1H3 |
| InChIKey | HVAXGLYKECRETN-UHFFFAOYSA-N |
| Molecular Weight | 172.224 g/mol |
| SMILES | C(=O)CCCCCCC(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.984413 |