| SpectraBase Compound ID | HM06Spelhrl |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-3-11-9(10)8-7(2)5-4-6-12-8/h3-6H2,1-2H3 |
| InChIKey | IPXXDKMBYZHRSW-UHFFFAOYSA-N |
| Mol Weight | 170.21 g/mol |
| Molecular Formula | C9H14O3 |
| Exact Mass | 170.094294 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7l0uz5j3sh4 |
|---|---|
| Name | 5-Methyl-3,4-dihydro-2H-pyran-6-carboxylic acid ethyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 170.094294308 u |
| Formula | C9H14O3 |
| InChI | InChI=1S/C9H14O3/c1-3-11-9(10)8-7(2)5-4-6-12-8/h3-6H2,1-2H3 |
| InChIKey | IPXXDKMBYZHRSW-UHFFFAOYSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C1(C(=O)OCC)=C(C)CCCO1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948855 |