| SpectraBase Compound ID | 3hmPi8Yz1ET |
|---|---|
| InChI | InChI=1S/C18H35NO4/c1-5-7-8-9-12-16(19-18(21)23-13-6-2)17(20)22-14-10-11-15(3)4/h15-16H,5-14H2,1-4H3,(H,19,21) |
| InChIKey | FHXFMTKBSCTKEB-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 | 9t86geTIKld |
|---|---|
| Name | 2-Aminocaprylic acid, N-propoxycarbonyl-, isohexyl 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/c1-5-7-8-9-12-16(19-18(21)23-13-6-2)17(20)22-14-10-11-15(3)4/h15-16H,5-14H2,1-4H3,(H,19,21) |
| InChIKey | FHXFMTKBSCTKEB-UHFFFAOYSA-N |
| Molecular Weight | 329.481 g/mol |
| SMILES | C(CCCC(NC(OCCC)=O)C(=O)OCCCC(C)C)CC |