| SpectraBase Compound ID | JwC3FfxLao4 |
|---|---|
| InChI | InChI=1S/C12H23NO/c1-11(14)12(2,3)7-6-10-13-8-4-5-9-13/h4-10H2,1-3H3 |
| InChIKey | XSUMTRMJASORMK-UHFFFAOYSA-N |
| Mol Weight | 197.32 g/mol |
| Molecular Formula | C12H23NO |
| Exact Mass | 197.177964 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | Fn1TQRzQ7f6 |
|---|---|
| Name | 3,3-Dimethyl-6-(1-pyrrolidinyl)-2-hexanone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 197.177964364 u |
| Formula | C12H23NO |
| InChI | InChI=1S/C12H23NO/c1-11(14)12(2,3)7-6-10-13-8-4-5-9-13/h4-10H2,1-3H3 |
| InChIKey | XSUMTRMJASORMK-UHFFFAOYSA-N |
| Molecular Weight | 197.322 g/mol |
| SMILES | C(N1CCCC1)CCC(C(=O)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.938124 |