| SpectraBase Compound ID | FL98ms6Qm2x |
|---|---|
| InChI | InChI=1S/C16H31NO4/c1-4-5-9-12-20-15(18)10-7-6-8-11-17-16(19)21-13-14(2)3/h14H,4-13H2,1-3H3,(H,17,19) |
| InChIKey | ALXGBBXADAGHMY-UHFFFAOYSA-N |
| Mol Weight | 301.43 g/mol |
| Molecular Formula | C16H31NO4 |
| Exact Mass | 301.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5e6pfs8L2un |
|---|---|
| Name | 6-Aminocaproic acid, N-isobutoxycarbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 301.225308478 u |
| Formula | C16H31NO4 |
| InChI | InChI=1S/C16H31NO4/c1-4-5-9-12-20-15(18)10-7-6-8-11-17-16(19)21-13-14(2)3/h14H,4-13H2,1-3H3,(H,17,19) |
| InChIKey | ALXGBBXADAGHMY-UHFFFAOYSA-N |
| SMILES | C(COC(NCCCCCC(OCCCCC)=O)=O)(C)C |