| SpectraBase Compound ID | HTMO1u3uIxJ |
|---|---|
| InChI | InChI=1S/C11H18O2/c1-8(2)10(13)11(4,5)7-6-9(3)12/h6-8H,1-5H3/b7-6+ |
| InChIKey | AWLUACLHRJHIRJ-VOTSOKGWSA-N |
| Mol Weight | 182.26 g/mol |
| Molecular Formula | C11H18O2 |
| Exact Mass | 182.13068 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GxEDigXNgQW |
|---|---|
| Name | 3-Octene-2,6-dione, 5,5,7-trimethyl-, (E)- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 182.130679818 u |
| Formula | C11H18O2 |
| InChI | InChI=1S/C11H18O2/c1-8(2)10(13)11(4,5)7-6-9(3)12/h6-8H,1-5H3/b7-6+ |
| InChIKey | AWLUACLHRJHIRJ-VOTSOKGWSA-N |
| Molecular Weight | 182.263 g/mol |
| SMILES | C(=O)(\C=C\C(C(=O)C(C)C)(C)C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.941259 |