| SpectraBase Compound ID | DdexEXodioL |
|---|---|
| InChI | InChI=1S/C12H20O4/c1-4-7-11(16-10(2)13)8-5-6-9-12(14)15-3/h4,11H,1,5-9H2,2-3H3 |
| InChIKey | CIMFBGKAVJXKRF-UHFFFAOYSA-N |
| Mol Weight | 228.29 g/mol |
| Molecular Formula | C12H20O4 |
| Exact Mass | 228.136159 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 3bfHzOsT9O3 |
|---|---|
| Name | 6-Acetoxynon-8-enoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 228.136159120 u |
| Formula | C12H20O4 |
| InChI | InChI=1S/C12H20O4/c1-4-7-11(16-10(2)13)8-5-6-9-12(14)15-3/h4,11H,1,5-9H2,2-3H3 |
| InChIKey | CIMFBGKAVJXKRF-UHFFFAOYSA-N |
| Molecular Weight | 228.288 g/mol |
| SMILES | C(=O)(OC(CC=C)CCCCC(=O)OC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.802989 |