| SpectraBase Compound ID | 6HmtN8pmKTT |
|---|---|
| InChI | InChI=1S/C8H12O2/c1-6(2)8(10)5-4-7(3)9/h4-6H,1-3H3/b5-4- |
| InChIKey | BWSZTLQPKADLGT-PLNGDYQASA-N |
| Mol Weight | 140.18 g/mol |
| Molecular Formula | C8H12O2 |
| Exact Mass | 140.08373 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2I39IjBMjIG |
|---|---|
| Name | (Z)-6-Methyl-3-heptene-2,5-dione |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.083729624 u |
| Formula | C8H12O2 |
| InChI | InChI=1S/C8H12O2/c1-6(2)8(10)5-4-7(3)9/h4-6H,1-3H3/b5-4- |
| InChIKey | BWSZTLQPKADLGT-PLNGDYQASA-N |
| SMILES | C(\C=C/C(=O)C)(=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.872977 |