| SpectraBase Compound ID | IPSwFVSz2O8 |
|---|---|
| InChI | InChI=1S/C8H15NO3/c1-3-4-5-7(10)9-6-8(11)12-2/h3-6H2,1-2H3,(H,9,10) |
| InChIKey | XPKSXAOQLADAFH-UHFFFAOYSA-N |
| Mol Weight | 173.21 g/mol |
| Molecular Formula | C8H15NO3 |
| Exact Mass | 173.105193 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 2Bc17cE6moo |
|---|---|
| Name | 2-(1-Oxopentylamino)acetic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 173.105193344 u |
| Formula | C8H15NO3 |
| InChI | InChI=1S/C8H15NO3/c1-3-4-5-7(10)9-6-8(11)12-2/h3-6H2,1-2H3,(H,9,10) |
| InChIKey | XPKSXAOQLADAFH-UHFFFAOYSA-N |
| Molecular Weight | 173.212 g/mol |
| SMILES | C(NCC(=O)OC)(=O)CCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.982596 |