| SpectraBase Compound ID | 6bz7ImN9pS4 |
|---|---|
| InChI | InChI=1S/C12H23NO3/c1-4-10(5-2)13-11(14)8-7-9-12(15)16-6-3/h10H,4-9H2,1-3H3,(H,13,14) |
| InChIKey | IJPNBBJGEXFHTO-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 | 814nY9YqoPe |
|---|---|
| Name | Glutaric acid, monoamide, N-(3-pentyl)-, ethyl 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/c1-4-10(5-2)13-11(14)8-7-9-12(15)16-6-3/h10H,4-9H2,1-3H3,(H,13,14) |
| InChIKey | IJPNBBJGEXFHTO-UHFFFAOYSA-N |
| Molecular Weight | 229.320 g/mol |
| SMILES | CCC(NC(CCCC(OCC)=O)=O)CC |