| SpectraBase Compound ID | 4pi6vpd4bAf |
|---|---|
| InChI | InChI=1S/C17H33NO4/c1-5-6-10-13-21-15(19)11-8-7-9-12-18-16(20)22-14-17(2,3)4/h5-14H2,1-4H3,(H,18,20) |
| InChIKey | JUKHMSZHWSJYBK-UHFFFAOYSA-N |
| Mol Weight | 315.5 g/mol |
| Molecular Formula | C17H33NO4 |
| Exact Mass | 315.240959 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | IqTTfrVMpUi |
|---|---|
| Name | 6-Aminocaproic acid, N-neopentyloxycarbonyl-, pentyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 315.240958543 u |
| Formula | C17H33NO4 |
| InChI | InChI=1S/C17H33NO4/c1-5-6-10-13-21-15(19)11-8-7-9-12-18-16(20)22-14-17(2,3)4/h5-14H2,1-4H3,(H,18,20) |
| InChIKey | JUKHMSZHWSJYBK-UHFFFAOYSA-N |
| Molecular Weight | 315.454 g/mol |
| SMILES | CC(COC(NCCCCCC(OCCCCC)=O)=O)(C)C |