| SpectraBase Compound ID | L08c1F4dZDU |
|---|---|
| InChI | InChI=1S/C8H14O3/c1-11-8(10)6-4-2-3-5-7-9/h7H,2-6H2,1H3 |
| InChIKey | NJVFYRBRYZXABC-UHFFFAOYSA-N |
| Mol Weight | 158.2 g/mol |
| Molecular Formula | C8H14O3 |
| Exact Mass | 158.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EF1TzToCHg3 |
|---|---|
| Name | Methyl 7-oxoheptanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 158.094294308 u |
| Formula | C8H14O3 |
| InChI | InChI=1S/C8H14O3/c1-11-8(10)6-4-2-3-5-7-9/h7H,2-6H2,1H3 |
| InChIKey | NJVFYRBRYZXABC-UHFFFAOYSA-N |
| Molecular Weight | 158.197 g/mol |
| SMILES | COC(CCCCCC=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.986311 |