| SpectraBase Compound ID | aqyc9se6Gt |
|---|---|
| InChI | InChI=1S/C22H43NO4/c1-5-6-7-8-9-10-11-15-18-26-20(24)16-13-12-14-17-23-21(25)27-19-22(2,3)4/h5-19H2,1-4H3,(H,23,25) |
| InChIKey | IAVFGLGZSKHFSC-UHFFFAOYSA-N |
| Mol Weight | 385.6 g/mol |
| Molecular Formula | C22H43NO4 |
| Exact Mass | 385.319209 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | 5e3x5Qxygv9 |
|---|---|
| Name | 6-Aminocaproic acid, N-neopentyloxycarbonyl-, decyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 385.319208865 u |
| Formula | C22H43NO4 |
| InChI | InChI=1S/C22H43NO4/c1-5-6-7-8-9-10-11-15-18-26-20(24)16-13-12-14-17-23-21(25)27-19-22(2,3)4/h5-19H2,1-4H3,(H,23,25) |
| InChIKey | IAVFGLGZSKHFSC-UHFFFAOYSA-N |
| Molecular Weight | 385.589 g/mol |
| SMILES | CC(COC(NCCCCCC(OCCCCCCCCCC)=O)=O)(C)C |