| SpectraBase Compound ID | CSlxsoXBiD0 |
|---|---|
| InChI | InChI=1S/C9H17NO2/c1-8-3-5-10(6-4-8)7-9(11)12-2/h8H,3-7H2,1-2H3 |
| InChIKey | FHGBJZGJGNTNDT-UHFFFAOYSA-N |
| Mol Weight | 171.24 g/mol |
| Molecular Formula | C9H17NO2 |
| Exact Mass | 171.125929 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2GAL9WJFZMt |
|---|---|
| Name | (4-Methyl-piperidin-1-yl)-acetic acid, methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 171.125928789 u |
| Formula | C9H17NO2 |
| InChI | InChI=1S/C9H17NO2/c1-8-3-5-10(6-4-8)7-9(11)12-2/h8H,3-7H2,1-2H3 |
| InChIKey | FHGBJZGJGNTNDT-UHFFFAOYSA-N |
| Molecular Weight | 171.240 g/mol |
| SMILES | C1CC(C)CCN1CC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.919619 |