| SpectraBase Compound ID | 2YwYA6Qn0ws |
|---|---|
| InChI | InChI=1S/C9H16O/c1-6-9(4,5)7(2)8(3)10/h6-7H,1H2,2-5H3 |
| InChIKey | BNVIKAHIWGIGDR-UHFFFAOYSA-N |
| Mol Weight | 140.23 g/mol |
| Molecular Formula | C9H16O |
| Exact Mass | 140.120115 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 9gww5y9K7Sk |
|---|---|
| Name | 5-Hexen-2-one, 3,4,4-trimethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 140.120115134 u |
| Formula | C9H16O |
| InChI | InChI=1S/C9H16O/c1-6-9(4,5)7(2)8(3)10/h6-7H,1H2,2-5H3 |
| InChIKey | BNVIKAHIWGIGDR-UHFFFAOYSA-N |
| Molecular Weight | 140.226 g/mol |
| SMILES | C(C(C(=O)C)C)(C=C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.924838 |