| SpectraBase Compound ID | JxT2YQmdGKa |
|---|---|
| InChI | InChI=1S/C7H11NO3/c1-11-7(10)8-5-3-2-4-6(8)9/h2-5H2,1H3 |
| InChIKey | LKXNFSNAHUOFQM-UHFFFAOYSA-N |
| Mol Weight | 157.17 g/mol |
| Molecular Formula | C7H11NO3 |
| Exact Mass | 157.073893 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | IxdAryCjZux |
|---|---|
| Name | Methyl-2-oxopiperidine-1-carboxylate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 157.073893215 u |
| Formula | C7H11NO3 |
| InChI | InChI=1S/C7H11NO3/c1-11-7(10)8-5-3-2-4-6(8)9/h2-5H2,1H3 |
| InChIKey | LKXNFSNAHUOFQM-UHFFFAOYSA-N |
| Molecular Weight | 157.169 g/mol |
| SMILES | C1(=O)CCCCN1C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.962931 |