| SpectraBase Compound ID | Aiwo0o3xL2y |
|---|---|
| InChI | InChI=1S/C17H31NO4/c1-4-5-12-22-16(20)18-17(10-6-7-11-17)15(19)21-13-8-9-14(2)3/h14H,4-13H2,1-3H3,(H,18,20) |
| InChIKey | ZWNHHGMCAQFMSH-UHFFFAOYSA-N |
| Mol Weight | 313.44 g/mol |
| Molecular Formula | C17H31NO4 |
| Exact Mass | 313.225308 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
View the Full Spectrum for FREE!
The full spectrum can only be viewed using a FREE account.
| SpectraBase Spectrum ID | 1KvQrOvAd4A |
|---|---|
| Name | 1-Aminocyclopentanecarboxylic acid, N-butoxycarbonyl-, isohexyl 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/c1-4-5-12-22-16(20)18-17(10-6-7-11-17)15(19)21-13-8-9-14(2)3/h14H,4-13H2,1-3H3,(H,18,20) |
| InChIKey | ZWNHHGMCAQFMSH-UHFFFAOYSA-N |
| Molecular Weight | 313.438 g/mol |
| SMILES | CCCCOC(NC1(CCCC1)C(OCCCC(C)C)=O)=O |