| SpectraBase Compound ID | BOula7SZVn8 |
|---|---|
| InChI | InChI=1S/C8H13NO3/c1-12-8(11)4-6-9-5-2-3-7(9)10/h2-6H2,1H3 |
| InChIKey | ZKKKRBGDNUHEAB-UHFFFAOYSA-N |
| Mol Weight | 171.2 g/mol |
| Molecular Formula | C8H13NO3 |
| Exact Mass | 171.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | F2w8cV7m84Q |
|---|---|
| Name | 1-Pyrrolidinepropanoic acid, 2-oxo-, methyl ester |
| 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)4-6-9-5-2-3-7(9)10/h2-6H2,1H3 |
| InChIKey | ZKKKRBGDNUHEAB-UHFFFAOYSA-N |
| Molecular Weight | 171.196 g/mol |
| SMILES | C1CCN(C1=O)CCC(OC)=O |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971986 |