| SpectraBase Compound ID | 4Pf3FL2NfJM |
|---|---|
| InChI | InChI=1S/C9H14N2O/c1-8(2)6-9(3,4)11(8)7(12)5-10/h6H2,1-4H3 |
| InChIKey | GPRQVHOXPDVQPD-UHFFFAOYSA-N |
| Mol Weight | 166.22 g/mol |
| Molecular Formula | C9H14N2O |
| Exact Mass | 166.110613 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 94jX4xN1GZW |
|---|---|
| Name | Azetidine, 1-(cyanocarbonyl)-2,2,4,4-tetramethyl- |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 166.110613078 u |
| Formula | C9H14N2O |
| InChI | InChI=1S/C9H14N2O/c1-8(2)6-9(3,4)11(8)7(12)5-10/h6H2,1-4H3 |
| InChIKey | GPRQVHOXPDVQPD-UHFFFAOYSA-N |
| Molecular Weight | 166.224 g/mol |
| SMILES | C1(N(C(C1)(C)C)C(C#N)=O)(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.915734 |