| SpectraBase Compound ID | JO0NmLNibtg |
|---|---|
| InChI | InChI=1S/C12H20O/c1-4-6-12(7-5-2)10-11(3)8-9-13/h9-10H,3-8H2,1-2H3 |
| InChIKey | UCRHHBDNNFDNFL-UHFFFAOYSA-N |
| Mol Weight | 180.29 g/mol |
| Molecular Formula | C12H20O |
| Exact Mass | 180.151415 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 8MmFL9KHJRN |
|---|---|
| Name | 3-Methylidene-5-propyloct-4-enal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 180.151415263 u |
| Formula | C12H20O |
| InChI | InChI=1S/C12H20O/c1-4-6-12(7-5-2)10-11(3)8-9-13/h9-10H,3-8H2,1-2H3 |
| InChIKey | UCRHHBDNNFDNFL-UHFFFAOYSA-N |
| Molecular Weight | 180.291 g/mol |
| SMILES | C(CC(C=C(CCC)CCC)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.937936 |