| SpectraBase Compound ID | B2WGpiDKWdB |
|---|---|
| InChI | InChI=1S/C17H31NO4/c1-3-5-7-10-14-22-16(20)18-17(11-8-9-12-17)15(19)21-13-6-4-2/h3-14H2,1-2H3,(H,18,20) |
| InChIKey | LXUXSULROVTLFX-UHFFFAOYSA-N |
| Mol Weight | 313.44 g/mol |
| Molecular Formula | C17H31NO4 |
| Exact Mass | 313.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 4fTZ9oZv5Hg |
|---|---|
| Name | 1-Aminocyclopentanecarboxylic acid, N-(hexyloxycarbonyl)-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 313.225308478 u |
| Formula | C17H31NO4 |
| InChI | InChI=1S/C17H31NO4/c1-3-5-7-10-14-22-16(20)18-17(11-8-9-12-17)15(19)21-13-6-4-2/h3-14H2,1-2H3,(H,18,20) |
| InChIKey | LXUXSULROVTLFX-UHFFFAOYSA-N |
| Molecular Weight | 313.438 g/mol |
| SMILES | C1CC(C(OCCCC)=O)(NC(=O)OCCCCCC)CC1 |