| SpectraBase Compound ID | IRWhkIod2ZI |
|---|---|
| InChI | InChI=1S/C11H21NO4/c1-9(2)16-11(14)12-8-6-4-5-7-10(13)15-3/h9H,4-8H2,1-3H3,(H,12,14) |
| InChIKey | RILWNVIBAFPNAM-UHFFFAOYSA-N |
| Mol Weight | 231.29 g/mol |
| Molecular Formula | C11H21NO4 |
| Exact Mass | 231.147058 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | BRUqSwv7lGb |
|---|---|
| Name | Aminocaproic acid, N-isopropyloxycarbonyl-, methyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 231.147058156 u |
| Formula | C11H21NO4 |
| InChI | InChI=1S/C11H21NO4/c1-9(2)16-11(14)12-8-6-4-5-7-10(13)15-3/h9H,4-8H2,1-3H3,(H,12,14) |
| InChIKey | RILWNVIBAFPNAM-UHFFFAOYSA-N |
| Molecular Weight | 231.292 g/mol |
| SMILES | C(CCCCNC(OC(C)C)=O)C(=O)OC |