| SpectraBase Compound ID | CBHpI2kYf94 |
|---|---|
| InChI | InChI=1S/C13H22O/c1-10(9-14)7-11(2)12(3)8-13(4,5)6/h9,12H,1-2,7-8H2,3-6H3 |
| InChIKey | WCXIRVDMXWAAAF-UHFFFAOYSA-N |
| Mol Weight | 194.32 g/mol |
| Molecular Formula | C13H22O |
| Exact Mass | 194.167065 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | K9wRJyVXCUG |
|---|---|
| Name | 5,7,7-Trimethyl-2,4-dimethylideneoctanal |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 194.167065327 u |
| Formula | C13H22O |
| InChI | InChI=1S/C13H22O/c1-10(9-14)7-11(2)12(3)8-13(4,5)6/h9,12H,1-2,7-8H2,3-6H3 |
| InChIKey | WCXIRVDMXWAAAF-UHFFFAOYSA-N |
| Molecular Weight | 194.318 g/mol |
| SMILES | C(C(CC(C(CC(C)(C)C)C)=C)=C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.891427 |