| SpectraBase Compound ID | 4VuFtig1bsL |
|---|---|
| InChI | InChI=1S/C10H16O/c1-8(10(3,4)5)6-7-9(2)11/h6-7H,1H2,2-5H3/b7-6+ |
| InChIKey | BVDFAQRWSBNBDF-VOTSOKGWSA-N |
| Mol Weight | 152.24 g/mol |
| Molecular Formula | C10H16O |
| Exact Mass | 152.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | W3Qzn5ZqEe |
|---|---|
| Name | 5-T-Butyl-hexa-3,5-dien-2-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 152.120115134 u |
| Formula | C10H16O |
| InChI | InChI=1S/C10H16O/c1-8(10(3,4)5)6-7-9(2)11/h6-7H,1H2,2-5H3/b7-6+ |
| InChIKey | BVDFAQRWSBNBDF-VOTSOKGWSA-N |
| Molecular Weight | 152.237 g/mol |
| SMILES | C=C(C(C)(C)C)\C=C\C(C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.805174 |