| SpectraBase Compound ID | LJMxJmExeLa |
|---|---|
| InChI | InChI=1S/C12H24O/c1-3-4-5-6-7-9-12(2)10-8-11-13/h11-12H,3-10H2,1-2H3 |
| InChIKey | FVIGGGIAVKGMKI-UHFFFAOYSA-N |
| Mol Weight | 184.32 g/mol |
| Molecular Formula | C12H24O |
| Exact Mass | 184.182715 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | E4wChcL4a95 |
|---|---|
| Name | 4-Methylundecanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 184.182715392 u |
| Formula | C12H24O |
| InChI | InChI=1S/C12H24O/c1-3-4-5-6-7-9-12(2)10-8-11-13/h11-12H,3-10H2,1-2H3 |
| InChIKey | FVIGGGIAVKGMKI-UHFFFAOYSA-N |
| Molecular Weight | 184.323 g/mol |
| SMILES | C(CCC(CCCCCCC)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.868036 |