| SpectraBase Compound ID | Bk7iHCuVDMd |
|---|---|
| InChI | InChI=1S/C7H13NO3/c1-5(2)7(10)8-4-6(9)11-3/h5H,4H2,1-3H3,(H,8,10) |
| InChIKey | NZZLARRIBIFCBC-UHFFFAOYSA-N |
| Mol Weight | 159.18 g/mol |
| Molecular Formula | C7H13NO3 |
| Exact Mass | 159.089543 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | L5HkL65gVBD |
|---|---|
| Name | 2-(Isobutyrylamino)acetic acid methyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 159.089543280 u |
| Formula | C7H13NO3 |
| InChI | InChI=1S/C7H13NO3/c1-5(2)7(10)8-4-6(9)11-3/h5H,4H2,1-3H3,(H,8,10) |
| InChIKey | NZZLARRIBIFCBC-UHFFFAOYSA-N |
| Molecular Weight | 159.185 g/mol |
| SMILES | C(NCC(=O)OC)(=O)C(C)C |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.971385 |