| SpectraBase Compound ID | 8pzIC0dGRTO |
|---|---|
| InChI | InChI=1S/C10H20O3/c1-4-5-6-7-9(12-2)8-10(11)13-3/h9H,4-8H2,1-3H3 |
| InChIKey | YOPQFZCMNGQWER-UHFFFAOYSA-N |
| Mol Weight | 188.27 g/mol |
| Molecular Formula | C10H20O3 |
| Exact Mass | 188.141245 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 6c6SbJKbiTo |
|---|---|
| Name | Octanoic acid, 3-methoxy-, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 188.141244501 u |
| Formula | C10H20O3 |
| InChI | InChI=1S/C10H20O3/c1-4-5-6-7-9(12-2)8-10(11)13-3/h9H,4-8H2,1-3H3 |
| InChIKey | YOPQFZCMNGQWER-UHFFFAOYSA-N |
| Molecular Weight | 188.267 g/mol |
| SMILES | C(CC(OC)CCCCC)(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.901381 |