| SpectraBase Compound ID | 7Uce4ock0qL |
|---|---|
| InChI | InChI=1S/C11H18O/c1-4-11(8-9-12)7-5-6-10(2)3/h4,6,9H,5,7-8H2,1-3H3/b11-4+ |
| InChIKey | BWDJXOLWYPSFMT-NYYWCZLTSA-N |
| Mol Weight | 166.26 g/mol |
| Molecular Formula | C11H18O |
| Exact Mass | 166.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | GZvyvDcO0fO |
|---|---|
| Name | (Trans)-3-ethylidene-7-methyl-6-octenal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.135765199 u |
| Formula | C11H18O |
| InChI | InChI=1S/C11H18O/c1-4-11(8-9-12)7-5-6-10(2)3/h4,6,9H,5,7-8H2,1-3H3/b11-4+ |
| InChIKey | BWDJXOLWYPSFMT-NYYWCZLTSA-N |
| Molecular Weight | 166.264 g/mol |
| SMILES | C\C=C\(CC=O)CCC=C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.988549 |