| SpectraBase Compound ID | HVQjGjepvUI |
|---|---|
| InChI | InChI=1S/C8H15NO3/c1-4-6(2)8(11)9-5-7(10)12-3/h6H,4-5H2,1-3H3,(H,9,11) |
| InChIKey | JRTJKVMHEVDIEM-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 | 9pNzRmTsTt1 |
|---|---|
| Name | 2-(2-Methylbutanoylamino)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/c1-4-6(2)8(11)9-5-7(10)12-3/h6H,4-5H2,1-3H3,(H,9,11) |
| InChIKey | JRTJKVMHEVDIEM-UHFFFAOYSA-N |
| Molecular Weight | 173.212 g/mol |
| SMILES | C(NCC(=O)OC)(=O)C(CC)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.980713 |