| SpectraBase Compound ID | 9P78nuWaCij |
|---|---|
| InChI | InChI=1S/C8H13NO3/c1-12-8(11)7(10)9-5-3-2-4-6-9/h2-6H2,1H3 |
| InChIKey | RDUJIPVBMNIIFZ-UHFFFAOYSA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C8H13NO3 |
| Exact Mass | 171.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 61ZkKKNqLSi |
|---|---|
| Name | Methyl 2-oxo-2-(piperidine-1-yl)acetate |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.089543280 u |
| Formula | C8H13NO3 |
| InChI | InChI=1S/C8H13NO3/c1-12-8(11)7(10)9-5-3-2-4-6-9/h2-6H2,1H3 |
| InChIKey | RDUJIPVBMNIIFZ-UHFFFAOYSA-N |
| Molecular Weight | 171.196 g/mol |
| SMILES | C(N1CCCCC1)(=O)C(=O)OC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.884139 |