| SpectraBase Compound ID | LqQlL9R2e56 |
|---|---|
| InChI | InChI=1S/C12H23NO3/c1-4-5-6-7-11(14)13-8-12(15)16-9-10(2)3/h10H,4-9H2,1-3H3,(H,13,14) |
| InChIKey | XUDFAKDXRPIJGT-UHFFFAOYSA-N |
| Mol Weight | 229.32 g/mol |
| Molecular Formula | C12H23NO3 |
| Exact Mass | 229.167794 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | CV1Z3ot8y2O |
|---|---|
| Name | Hexanoyl glycine, 2-methylpropyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 229.167793602 u |
| Formula | C12H23NO3 |
| InChI | InChI=1S/C12H23NO3/c1-4-5-6-7-11(14)13-8-12(15)16-9-10(2)3/h10H,4-9H2,1-3H3,(H,13,14) |
| InChIKey | XUDFAKDXRPIJGT-UHFFFAOYSA-N |
| Molecular Weight | 229.320 g/mol |
| SMILES | C(NC(CCCCC)=O)C(=O)OCC(C)C |