| SpectraBase Compound ID | Cj2F0BUoVHN |
|---|---|
| InChI | InChI=1S/C7H13NO/c1-6-3-4-7(9)5-8(6)2/h6H,3-5H2,1-2H3 |
| InChIKey | YAPCDYAEMOCVRE-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 | 2DhIU6hxoUA |
|---|---|
| Name | 3-Piperidinone, 1,6-dimethyl- |
| 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/c1-6-3-4-7(9)5-8(6)2/h6H,3-5H2,1-2H3 |
| InChIKey | YAPCDYAEMOCVRE-UHFFFAOYSA-N |
| Molecular Weight | 127.187 g/mol |
| SMILES | CN1C(C)CCC(C1)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.951125 |