| SpectraBase Compound ID | 3P1cRIY4Yc9 |
|---|---|
| InChI | InChI=1S/C12H21NO/c14-12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h11H,1-10H2 |
| InChIKey | PRFPQYGTPKDLHJ-UHFFFAOYSA-N |
| Mol Weight | 195.31 g/mol |
| Molecular Formula | C12H21NO |
| Exact Mass | 195.162314 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | CGlP0Z6f7te |
|---|---|
| Name | Pimeclone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 195.162314299 u |
| Formula | C12H21NO |
| InChI | InChI=1S/C12H21NO/c14-12-7-3-2-6-11(12)10-13-8-4-1-5-9-13/h11H,1-10H2 |
| InChIKey | PRFPQYGTPKDLHJ-UHFFFAOYSA-N |
| Molecular Weight | 195.306 g/mol |
| SMILES | C1CC(C(CC1)CN1CCCCC1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.968159 |