| SpectraBase Compound ID | BC6TXjlhIXB |
|---|---|
| InChI | InChI=1S/C7H13NO/c1-6-3-4-8(2)7(9)5-6/h6H,3-5H2,1-2H3 |
| InChIKey | JBCMUNOVVMEKMO-UHFFFAOYSA-N |
| Mol Weight | 127.19 g/mol |
| Molecular Formula | C7H13NO |
| Exact Mass | 127.099714 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 7KhDyBcJmNB |
|---|---|
| Name | 1,4-Dimethyl-2-piperidone |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 127.099714042 u |
| Formula | C7H13NO |
| InChI | InChI=1S/C7H13NO/c1-6-3-4-8(2)7(9)5-6/h6H,3-5H2,1-2H3 |
| InChIKey | JBCMUNOVVMEKMO-UHFFFAOYSA-N |
| Molecular Weight | 127.187 g/mol |
| SMILES | C1(N(CCC(C1)C)C)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.958365 |