| SpectraBase Spectrum ID |
E0OVMmiSVcQ |
| Name |
4-Methyl-3,6-dihydro-2H-pyran-2-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)8-6-7(2)4-5-12-8/h4,8H,3,5-6H2,1-2H3 |
| InChIKey |
SBENLRUVWAJUTN-UHFFFAOYSA-N |
| Molecular Weight |
170.208 g/mol |
| SMILES |
C1(CC(=CCO1)C)C(=O)OCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) |
0.922222 |
