| SpectraBase Compound ID | BwxPI309HaY |
|---|---|
| InChI | InChI=1S/C9H15NO/c1-7(2)10-6-5-8(11)9(10,3)4/h5-7H,1-4H3 |
| InChIKey | NLZQPNUAGQJUGX-UHFFFAOYSA-N |
| Mol Weight | 153.22 g/mol |
| Molecular Formula | C9H15NO |
| Exact Mass | 153.115364 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 18sdfvGxF6Q |
|---|---|
| Name | 1-Isopropyl-2,2-dimethyl-2-pyrrolin-3-one |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 153.115364106 u |
| Formula | C9H15NO |
| InChI | InChI=1S/C9H15NO/c1-7(2)10-6-5-8(11)9(10,3)4/h5-7H,1-4H3 |
| InChIKey | NLZQPNUAGQJUGX-UHFFFAOYSA-N |
| Molecular Weight | 153.225 g/mol |
| SMILES | C1(N(C=CC1=O)C(C)C)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.967141 |