| SpectraBase Compound ID | EB1dWnaTfIN |
|---|---|
| InChI | InChI=1S/C10H16O3/c1-4-5-6-7-9(8(2)11)10(12)13-3/h4,9H,1,5-7H2,2-3H3 |
| InChIKey | SOWZJTHYGZXLQO-UHFFFAOYSA-N |
| Mol Weight | 184.23 g/mol |
| Molecular Formula | C10H16O3 |
| Exact Mass | 184.109944 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | EpVIoDoyAkz |
|---|---|
| Name | 2-Acetyl-6-heptenoic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.109944372 u |
| Formula | C10H16O3 |
| InChI | InChI=1S/C10H16O3/c1-4-5-6-7-9(8(2)11)10(12)13-3/h4,9H,1,5-7H2,2-3H3 |
| InChIKey | SOWZJTHYGZXLQO-UHFFFAOYSA-N |
| Molecular Weight | 184.235 g/mol |
| SMILES | C(C(=O)OC)(C(=O)C)CCCC=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.856905 |