| SpectraBase Compound ID | 7PEDyHi9Vgr |
|---|---|
| InChI | InChI=1S/C9H14O3/c1-8(4-3-6-10)5-7-12-9(2)11/h5-6H,3-4,7H2,1-2H3/b8-5+ |
| InChIKey | RGAIVGKJOJFCTG-VMPITWQZSA-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 | 7mJ4GSO8QRS |
|---|---|
| Name | Acetic acid, 3-methyl-6-oxo-hex-2-enyl 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/c1-8(4-3-6-10)5-7-12-9(2)11/h5-6H,3-4,7H2,1-2H3/b8-5+ |
| InChIKey | RGAIVGKJOJFCTG-VMPITWQZSA-N |
| Molecular Weight | 170.208 g/mol |
| SMILES | C(=O)CC\C(=C\COC(C)=O)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.956725 |