| SpectraBase Compound ID | DEgHzPvlHTd |
|---|---|
| InChI | InChI=1S/C12H23NO3/c1-3-5-7-8-11(14)13-10-12(15)16-9-6-4-2/h3-10H2,1-2H3,(H,13,14) |
| InChIKey | NEIJZUDTEKYKCS-UHFFFAOYSA-N |
| Mol Weight | 229.32 g/mol |
| Molecular Formula | C12H23NO3 |
| Exact Mass | 229.167794 g/mol |
Vapor Phase (Gas) Infrared Spectrum
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| SpectraBase Spectrum ID | 4OuLkrFPwPT |
|---|---|
| Name | Hexanoyl glycine, N-butyl ester |
| Comments | Computed using SmartSpectra Model v1.42 |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.167793602 u |
| Formula | C12H23NO3 |
| InChI | InChI=1S/C12H23NO3/c1-3-5-7-8-11(14)13-10-12(15)16-9-6-4-2/h3-10H2,1-2H3,(H,13,14) |
| InChIKey | NEIJZUDTEKYKCS-UHFFFAOYSA-N |
| Molecular Weight | 229.320 g/mol |
| SMILES | C(NC(CCCCC)=O)C(=O)OCCCC |
| Spectrum/Structure Validation Score (Vapor Phase IR) | 0.948533 |