| SpectraBase Compound ID | 4xsKUJvjcIs |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4- |
| InChIKey | LKNXTZXOBHAYSR-PLNGDYQASA-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 | L5mFPTl82r5 |
|---|---|
| Name | Pyruvic acid, 3-hexenyl 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/c1-3-4-5-6-7-12-9(11)8(2)10/h4-5H,3,6-7H2,1-2H3/b5-4- |
| InChIKey | LKNXTZXOBHAYSR-PLNGDYQASA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | CC(C(OCC\C=C/CC)=O)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.889464 |