| SpectraBase Compound ID | 8c7pCOgFaWS |
|---|---|
| InChI | InChI=1S/C11H20O3/c1-3-5-6-9-14-11(13)8-7-10(12)4-2/h3-9H2,1-2H3 |
| InChIKey | HXUHFEKRNWICMB-UHFFFAOYSA-N |
| Mol Weight | 200.28 g/mol |
| Molecular Formula | C11H20O3 |
| Exact Mass | 200.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | B15ksu0zlEd |
|---|---|
| Name | Pentyl 4-oxohexanoate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 200.141244501 u |
| Formula | C11H20O3 |
| InChI | InChI=1S/C11H20O3/c1-3-5-6-9-14-11(13)8-7-10(12)4-2/h3-9H2,1-2H3 |
| InChIKey | HXUHFEKRNWICMB-UHFFFAOYSA-N |
| Molecular Weight | 200.278 g/mol |
| SMILES | C(CCC(CC)=O)(=O)OCCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.985215 |