| SpectraBase Compound ID | AlluFozH8MU |
|---|---|
| InChI | InChI=1S/C18H35NO4/c1-6-8-10-11-12-15(16(20)22-13-9-7-2)19-17(21)23-14-18(3,4)5/h15H,6-14H2,1-5H3,(H,19,21) |
| InChIKey | OIZFUBOFHXQLAR-UHFFFAOYSA-N |
| Mol Weight | 329.5 g/mol |
| Molecular Formula | C18H35NO4 |
| Exact Mass | 329.256609 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | Ez2wopSr0Wz |
|---|---|
| Name | 2-Aminocaprylic acid, N-neopentyloxycarbonyl-, butyl ester |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 329.256608607 u |
| Formula | C18H35NO4 |
| InChI | InChI=1S/C18H35NO4/c1-6-8-10-11-12-15(16(20)22-13-9-7-2)19-17(21)23-14-18(3,4)5/h15H,6-14H2,1-5H3,(H,19,21) |
| InChIKey | OIZFUBOFHXQLAR-UHFFFAOYSA-N |
| Molecular Weight | 329.481 g/mol |
| SMILES | CC(COC(NC(C(OCCCC)=O)CCCCCC)=O)(C)C |