| SpectraBase Compound ID | 2H1Jx1vhibt |
|---|---|
| InChI | InChI=1S/C12H18O/c1-2-4-9-7-10-5-3-6-11(10)12(13)8-9/h9H,2-8H2,1H3 |
| InChIKey | MNMKLMVOJAJQGI-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 | F1kQCqJPRjP |
|---|---|
| Name | 6-Propyl-1,2,3,5,6,7-hexahydro-4H-inden-4-one |
| 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/c1-2-4-9-7-10-5-3-6-11(10)12(13)8-9/h9H,2-8H2,1H3 |
| InChIKey | MNMKLMVOJAJQGI-UHFFFAOYSA-N |
| Molecular Weight | 178.275 g/mol |
| SMILES | C12=C(CC(CC2=O)CCC)CCC1 |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.970127 |