| SpectraBase Compound ID | 4jkn2A8DheV |
|---|---|
| InChI | InChI=1S/C12H18O/c1-9-7-11(13)8-10-5-3-4-6-12(9,10)2/h8-9H,3-7H2,1-2H3 |
| InChIKey | NOEZCVRCZNQDGG-UHFFFAOYSA-N |
| Mol Weight | 178.27 g/mol |
| Molecular Formula | C12H18O |
| Exact Mass | 178.135765 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7rAyqOrvFB2 |
|---|---|
| Name | 4,10-Dimethyl-.delta.(1(9))-2-octalone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 178.135765199 u |
| Formula | C12H18O |
| InChI | InChI=1S/C12H18O/c1-9-7-11(13)8-10-5-3-4-6-12(9,10)2/h8-9H,3-7H2,1-2H3 |
| InChIKey | NOEZCVRCZNQDGG-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C1=2C(C(C)CC(C2)=O)(C)CCCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.907448 |