| SpectraBase Compound ID | y2wpkDnej0 |
|---|---|
| InChI | InChI=1S/C10H16O/c1-4-10(11)8-6-5-7-9(2)3/h4,7H,1,5-6,8H2,2-3H3 |
| InChIKey | BSRJIIYPICNYND-UHFFFAOYSA-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 | KF41dyg5VzK |
|---|---|
| Name | 1,7-Nonadien-3-one, 8-methyl- |
| 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/c1-4-10(11)8-6-5-7-9(2)3/h4,7H,1,5-6,8H2,2-3H3 |
| InChIKey | BSRJIIYPICNYND-UHFFFAOYSA-N |
| Molecular Weight | 152.237 g/mol |
| SMILES | C(C(=O)CCCC=C(C)C)=C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.987783 |